UCSF

ZINC20048019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 20 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) 0.48 5.73 -110.42 3 5 2 51 285.432 6
Mid Mid (pH 6-8) 0.48 3.46 -46.97 2 5 1 49 284.424 6
Mid Mid (pH 6-8) 0.48 4.34 -39.78 2 5 1 46 284.424 6

Activity (Go SEA)

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