UCSF

ZINC61820409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 3.72 8.28 -35.85 2 2 1 20 247.406 3
Lo Low (pH 4.5-6) 3.72 8.98 -86.68 3 2 2 21 248.414 3

Activity (Go SEA)

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