UCSF

ZINC37050034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.25 5.72 -85.02 4 4 2 45 293.455 8
Hi High (pH 8-9.5) 2.25 3.45 -46.71 3 4 1 43 292.447 8
Mid Mid (pH 6-8) 2.25 5.72 -90 4 4 2 45 293.455 8

Activity (Go SEA)

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