UCSF

ZINC40672375

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 15 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) 0.75 4.45 -34.3 2 3 1 29 206.313 3
Lo Low (pH 4.5-6) 0.75 4.85 -79.03 3 3 2 31 207.321 3

Activity (Go SEA)

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