UCSF

ZINC45654813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.82 7.57 -74.9 3 3 2 21 253.434 5
Hi High (pH 8-9.5) 1.82 5.21 -30.95 2 3 1 20 252.426 5

Activity (Go SEA)

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