UCSF

ZINC02392287

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 29 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) 2.97 12.57 -63.8 2 7 0 98 391.427 7
Mid Mid (pH 6-8) 2.97 12 -63.47 1 7 -1 96 390.419 7

Activity (Go SEA)

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