UCSF

ZINC40290452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) 2.31 6.38 -26.23 3 4 1 56 249.382 6
Hi High (pH 8-9.5) 2.31 6.1 -7.62 2 4 0 55 248.374 6
Mid Mid (pH 6-8) 2.31 6.28 -22.44 3 4 1 56 249.382 6
Mid Mid (pH 6-8) 2.31 6.69 -104.65 4 4 2 58 250.39 6
Lo Low (pH 4.5-6) 2.31 6.66 -105.98 4 4 2 58 250.39 6

Activity (Go SEA)

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