UCSF

ZINC28756952

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 20 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) 3.88 7.79 -10.27 1 3 0 34 296.342 5
Lo Low (pH 4.5-6) 3.88 7.97 -28.07 2 3 1 35 297.35 5

Activity (Go SEA)

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