UCSF

ZINC20629133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) 4.73 5.46 -42.85 1 6 -1 94 471.914 6
Mid Mid (pH 6-8) 4.73 5.88 -107.08 0 6 -2 96 470.906 6
Mid Mid (pH 6-8) 4.73 5.91 -48.02 1 6 -1 94 471.914 6
Lo Low (pH 4.5-6) 4.73 5.48 -12.6 2 6 0 92 472.922 6

Activity (Go SEA)

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