UCSF

ZINC12242610

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2008 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) 3.72 12.95 -51.39 1 4 1 35 353.465 5
Mid Mid (pH 6-8) 3.72 13.37 -92.79 2 4 2 36 354.473 5
Lo Low (pH 4.5-6) 3.72 13.66 -190.36 3 4 3 38 355.481 5
Lo Low (pH 4.5-6) 3.72 13.23 -108.75 2 4 2 36 354.473 5

Activity (Go SEA)

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