UCSF

ZINC42403735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 No

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) 1.44 2.89 -44.2 5 6 1 89 279.364 7
Hi High (pH 8-9.5) 1.44 0.9 -15.57 4 6 0 87 278.356 7

Activity (Go SEA)

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