UCSF

ZINC11535709

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 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) 2.34 -0.69 -11.7 1 3 0 46 236.274 1
Lo Low (pH 4.5-6) 2.34 -0.58 -33.47 2 3 1 47 237.282 1

Activity (Go SEA)

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