UCSF

ZINC34075511

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 11 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) -0.71 1.53 -11.57 1 3 0 57 148.165 2
Lo Low (pH 4.5-6) -0.71 1.99 -45.88 2 3 1 58 149.173 2

Activity (Go SEA)

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