UCSF

ZINC03881613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 30 No

Download: MOL2 SDF SMILES Flexibase

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
Ref Reference (pH 7) 5.51 15.62 -11.08 0 3 0 43 406.566 5
Ref Reference (pH 7) 5.51 15.45 -10.47 0 3 0 43 406.566 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.58e-04 g/l DrugBank-Street Drugs
UniProt Database Links COLI1_ONCMY; COLI1_XENLA; COLI2_ONCMY; COLI2_XENLA; COLI_ACITR; COLI_BOVIN; COLI_CAVPO; COLI_HUMAN; COLI_LEPOS; COLI_LITCT; COLI_MACNE; COLI_MOUSE; COLI_PELRI; COLI_PIG; COLI_RAT; COLI_SHEEP; DPDS_MYCBO; DPDS_MYCLE; DPDS_MYCS2; DPDS_MYCTU; ENPP1_HUMAN; EN ChEBI
Patent Database Links EP1862167; US2007190102 ChEBI

Activity (Go SEA)

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