UCSF

ZINC14531947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 25 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) 1.91 5.3 -11.14 2 8 0 94 348.403 8
Lo Low (pH 4.5-6) 1.91 5.56 -32.96 3 8 1 96 349.411 8

Activity (Go SEA)

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