UCSF

ZINC44658936

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.93 3.57 -57.58 3 5 1 72 268.362 7
Mid Mid (pH 6-8) 0.93 1.66 -22.36 2 5 0 67 267.354 7

Activity (Go SEA)

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