UCSF

ZINC34061775

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 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) 0.85 3.13 -6.73 2 4 0 62 209.245 5
Mid Mid (pH 6-8) 0.85 3.45 -41.72 3 4 1 63 210.253 5

Activity (Go SEA)

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