UCSF

ZINC06510914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 25 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) 2.54 9.13 -13.52 0 6 0 79 337.331 7
Lo Low (pH 4.5-6) 2.54 9.41 -44.85 1 6 1 80 338.339 7

Activity (Go SEA)

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