UCSF

ZINC23473163

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 18 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) 1.46 6.67 -25.61 1 4 0 48 248.326 3
Hi High (pH 8-9.5) 1.46 5.02 -48.97 0 4 -1 47 247.318 3

Activity (Go SEA)

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