UCSF

ZINC28286819

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 25 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) 4.68 10.16 -23.48 1 5 0 64 353.447 5
Mid Mid (pH 6-8) 4.87 9.08 -50.1 0 5 -1 70 352.439 5

Activity (Go SEA)

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