UCSF

ZINC95619104

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.01e+01 g/l DrugBank-approved
Mp [°C] >360 Acros Organics
Indications anticancer KeyOrganics Bioactives
UniProt Database Links CAS1_ECOLI; CDRB_CLOAT; CDRC_CLOAT; DDRA_DEIRA; DINJ_ECOLI; EMRK_ECOLI; EMRY_ECOLI; EPF2_ARATH; FAN1_CAEEL; HIGA_MYCTU; HIGB_MYCTU; MCRA_STRLA; MCRB_STRLA; MMCV_STRLA; MO4L1_HUMAN; MO4L1_MOUSE; MO4L1_PONAB; MO4L1_RAT; NCK1_HUMAN; NCK1_MOUSE; NCZS_STRCZ; N ChEBI
Patent Database Links EP1243276; EP1331005; EP1498127; EP1508331; EP1537858; EP1538164; EP1541142; EP1579874; EP1580188; EP1584682; EP1649857; EP1681065; EP1690929; EP1710256; EP1715033; EP1717247; EP1719527; EP1724350; EP1728863; EP1738759; EP1754712; EP1769795; EP1813609; EP ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H351: Suspected of causing cancer Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.