UCSF

ZINC20268287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.25 5.13 -118.63 3 3 2 30 208.305 2
Hi High (pH 8-9.5) 1.25 1.67 -3.45 1 3 0 24 206.289 2
Mid Mid (pH 6-8) 1.25 3.09 -42.39 2 3 1 29 207.297 2

Activity (Go SEA)

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