UCSF

ZINC40165700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 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) 3.73 10.27 -121.92 3 3 2 30 318.505 6
Mid Mid (pH 6-8) 3.73 8.33 -41.65 2 3 1 29 317.497 6

Activity (Go SEA)

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