UCSF

ZINC40998083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 0.11 3.91 -47.82 2 4 1 50 228.341 5
Mid Mid (pH 6-8) 0.11 2.55 -12.11 1 4 0 45 227.333 5

Activity (Go SEA)

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