UCSF

ZINC40285257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 26 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) 1.71 4.65 -14.44 1 7 0 82 350.378 4
Ref Reference (pH 7) 1.52 7.29 -14.54 1 7 0 78 350.378 4
Mid Mid (pH 6-8) 1.52 7.74 -45.88 2 7 1 80 351.386 4
Lo Low (pH 4.5-6) 1.71 5.17 -40.21 2 7 1 83 351.386 4

Activity (Go SEA)

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