UCSF

ZINC52274464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 1.65 4.79 -35.89 2 2 1 20 193.314 3
Lo Low (pH 4.5-6) 1.65 7.07 -99.94 3 2 2 21 194.322 3

Activity (Go SEA)

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