UCSF

ZINC37051750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.41 5.5 -35.46 2 4 1 34 249.382 4
Mid Mid (pH 6-8) 0.41 4.52 -40.09 2 4 1 38 249.382 4
Mid Mid (pH 6-8) 0.41 6.89 -117.85 3 4 2 39 250.39 4
Lo Low (pH 4.5-6) 0.41 5.85 -79.4 3 4 2 36 250.39 4

Activity (Go SEA)

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