UCSF

ZINC42528068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) -0.54 3.42 -26.71 1 8 0 106 293.279 5
Mid Mid (pH 6-8) -0.08 1.28 -62.55 0 8 -1 109 292.271 5

Activity (Go SEA)

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