UCSF

ZINC41654536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 11 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) 0.64 0.91 -3.94 1 2 0 23 153.225 2
Mid Mid (pH 6-8) 0.64 3.19 -33.5 2 2 1 25 154.233 2

Activity (Go SEA)

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