UCSF

ZINC39254860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) 1.54 6.64 -34.46 1 2 1 22 170.276 3
Hi High (pH 8-9.5) 1.54 4.7 -4.73 0 2 0 20 169.268 3

Activity (Go SEA)

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