UCSF

ZINC58308670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 20 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) 1.66 8.03 -10.3 0 4 0 36 273.38 2
Lo Low (pH 4.5-6) 1.66 8.45 -31.46 1 4 1 38 274.388 2

Activity (Go SEA)

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