UCSF

ZINC61674884

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 17 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) 1.54 3.96 -40.57 2 4 1 35 235.307 3
Lo Low (pH 4.5-6) 1.54 2.79 -43.83 2 4 1 38 235.307 3
Lo Low (pH 4.5-6) 1.54 5.24 -118.75 3 4 2 40 236.315 3

Activity (Go SEA)

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