UCSF

ZINC13959997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 5.28 9.56 -12.43 3 5 0 85 457.889 5
Lo Low (pH 4.5-6) 5.28 9.8 -41.68 4 5 1 86 458.897 5

Activity (Go SEA)

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