UCSF

ZINC22052737

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 1.38 4.73 -110.97 1 7 -2 119 273.285 7
Lo Low (pH 4.5-6) 1.38 3.62 -57.92 2 7 -1 116 274.293 7

Activity (Go SEA)

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