UCSF

ZINC39233992

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 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) 0.50 -0.71 -7.97 1 4 0 52 169.18 3
Lo Low (pH 4.5-6) 0.50 -0.29 -32.52 2 4 1 53 170.188 3

Activity (Go SEA)

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