UCSF

ZINC44124907

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 0.40 1.92 -29.77 2 5 1 46 271.381 1
Hi High (pH 8-9.5) 0.40 2.23 -35.46 2 5 1 46 271.381 1
Hi High (pH 8-9.5) 0.40 0.35 -4.81 1 5 0 45 270.373 1

Activity (Go SEA)

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