UCSF

ZINC34657064

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 3.01 8.8 -79.53 3 3 2 30 266.429 7
Hi High (pH 8-9.5) 3.01 6.41 -38.35 2 3 1 29 265.421 7

Activity (Go SEA)

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