UCSF

ZINC40712177

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 2.07 7.33 -40.02 1 3 1 21 224.303 2
Lo Low (pH 4.5-6) 2.07 7.66 -81.49 2 3 2 22 225.311 2

Activity (Go SEA)

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