UCSF

ZINC40017482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 31 Yes

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) 3.52 7.63 -48.35 3 5 1 63 424.561 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.82e-02 g/l DrugBank-experimental

Activity (Go SEA)

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