UCSF

ZINC04977529

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 22 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) 3.58 9.82 -38.54 2 3 1 29 293.39 3
Mid Mid (pH 6-8) 3.58 7.56 -7.08 1 3 0 28 292.382 3

Activity (Go SEA)

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