UCSF

ZINC41392111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 13 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) 0.89 6.7 -31.52 1 4 1 45 183.231 5
Mid Mid (pH 6-8) 0.89 6.34 -11.29 0 4 0 44 182.223 5

Activity (Go SEA)

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