UCSF

ZINC01293324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 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) 1.92 -2.07 -54.53 1 6 -1 91 293.306 5
Lo Low (pH 4.5-6) 1.92 -1.96 -79.39 2 6 0 92 294.314 5

Activity (Go SEA)

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