UCSF

ZINC20874118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 3.77 9.1 -40.8 2 4 1 38 343.491 10
Mid Mid (pH 6-8) 3.77 10.23 -37.96 2 4 1 35 343.491 10
Lo Low (pH 4.5-6) 3.77 11.63 -118.54 3 4 2 40 344.499 10

Activity (Go SEA)

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