UCSF

ZINC45393425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 23 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) 4.58 12.79 -26.6 2 4 1 42 311.453 5
Hi High (pH 8-9.5) 4.58 12.44 -6.53 1 4 0 41 310.445 5

Activity (Go SEA)

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