UCSF

ZINC40239234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 5.67 10.91 -7.93 0 3 0 27 328.843 5
Mid Mid (pH 6-8) 5.67 11.31 -26.61 1 3 1 28 329.851 5

Activity (Go SEA)

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