UCSF

ZINC40419390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 12 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) -1.18 -0.43 -48.5 4 5 1 83 175.208 6
Hi High (pH 8-9.5) -1.18 -0.84 -10.79 3 5 0 81 174.2 6

Activity (Go SEA)

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