UCSF

ZINC52254237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 No

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) 1.72 3.57 -46.44 1 5 -1 79 289.254 7
Mid Mid (pH 6-8) 1.72 3.06 -8.5 2 5 0 76 290.262 7

Activity (Go SEA)

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