UCSF

ZINC13912394

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 32 Yes

CAS Numbers: 209860-87-7 , 60-87-7 , [209860-87-7]

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) 4.62 9.75 -11.2 2 5 0 76 452.538 13

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.28e-03 g/l DrugBank-approved

Activity (Go SEA)

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