UCSF

ZINC40456305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 1.73 3.61 -35.78 2 4 1 37 265.377 6
Mid Mid (pH 6-8) 1.73 1.38 -6.23 1 4 0 36 264.369 6
Mid Mid (pH 6-8) 1.73 3.71 -33.01 2 4 1 37 265.377 6

Activity (Go SEA)

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