UCSF

ZINC42450185

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.41 4.02 -51.93 4 6 1 93 277.348 7
Mid Mid (pH 6-8) 0.41 2 -12.57 3 6 0 91 276.34 7

Activity (Go SEA)

Rings

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