UCSF

ZINC40474019

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) 2.33 7.89 -39.62 1 3 1 31 226.271 5
Mid Mid (pH 6-8) 2.33 5.92 -6.02 0 3 0 30 225.263 5

Activity (Go SEA)

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