UCSF

ZINC59540210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 0.66 2.27 -36.92 5 4 1 63 236.339 5
Lo Low (pH 4.5-6) 0.66 2.13 -85.37 6 4 2 64 237.347 5

Activity (Go SEA)

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