UCSF

ZINC37877976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) -0.23 3.2 -101.47 4 4 2 54 225.336 7
Hi High (pH 8-9.5) -0.23 1.79 -36.54 3 4 1 50 224.328 7
Mid Mid (pH 6-8) -0.23 3.74 -44.01 3 4 1 57 224.328 7

Activity (Go SEA)

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