UCSF

ZINC40620246

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 23 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) 2.84 8.77 -45.34 2 4 1 42 308.405 4
Mid Mid (pH 6-8) 2.84 6.54 -9.81 1 4 0 41 307.397 4

Activity (Go SEA)

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