UCSF

ZINC11995527

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 35 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) 2.65 10.23 -20.51 1 8 0 89 475.593 5
Lo Low (pH 4.5-6) 2.65 10.68 -50.78 2 8 1 91 476.601 5

Activity (Go SEA)

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