UCSF

ZINC22532114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 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) 2.02 5.48 -10.52 1 4 0 59 246.291 3
Hi High (pH 8-9.5) 2.09 4.58 -37.84 0 4 -1 65 245.283 3

Activity (Go SEA)

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