UCSF

ZINC39259253

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 3.52 8.49 -55.17 0 2 -1 40 231.315 1
Lo Low (pH 4.5-6) 3.52 6.53 -4.35 1 2 0 37 232.323 1

Activity (Go SEA)

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