UCSF

ZINC02823994

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 20 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) 3.45 11.05 -31.44 1 3 1 28 273.4 6
Mid Mid (pH 6-8) 3.45 10.58 -9.57 0 3 0 27 272.392 6

Activity (Go SEA)

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