UCSF

ZINC06564959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 26 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) 6.36 13.24 -9.55 0 3 0 27 348.49 6
Mid Mid (pH 6-8) 6.36 13.64 -33.52 1 3 1 28 349.498 6

Activity (Go SEA)

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