UCSF

ZINC25944176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 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) 1.77 8.66 -40.6 2 4 1 46 310.421 4
Mid Mid (pH 6-8) 1.77 6.39 -8.63 1 4 0 45 309.413 4

Activity (Go SEA)

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