UCSF

ZINC42511353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.03 5.36 -13.98 1 5 0 60 230.271 4
Mid Mid (pH 6-8) -0.03 5.87 -37.44 2 5 1 61 231.279 4

Activity (Go SEA)

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