UCSF

ZINC39294073

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) 1.83 7.28 -38.66 1 2 1 22 222.333 0
Hi High (pH 8-9.5) 1.83 4.89 -8.39 0 2 0 20 221.325 0

Activity (Go SEA)

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