UCSF

ZINC87496092

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 44 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 -27.31 -19.05 14 19 0 321 645.608 9
Mid Mid (pH 6-8) -5.51 -26.08 -45.24 15 19 1 326 646.616 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.48e+02 g/l DrugBank-approved
UniProt Database Links ACBC_ACTS5; AGLB_THEMA; AGLB_THENE; GLGB_MYCTU; RMLA_ACTS5; RMLB_ACTS5; TRES_MYCS2 ChEBI
Patent Database Links EP1088824; EP1136071; EP1258253; EP1338600; EP1354882; EP1391460; EP1452526; EP1452530; EP1479666; EP1493443; EP1520582; EP1533292; EP1553091; EP1559710; EP1595544; EP1634605; EP1669345; EP1714648; EP1785144; EP1813273; EP1829858; EP1832291; EP1840134; EP ChEBI

Activity (Go SEA)

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

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