UCSF

ZINC26484961

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 31 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) 5.37 12.88 -12.9 0 4 0 34 412.533 5
Mid Mid (pH 6-8) 5.37 14.94 -56.41 1 4 1 36 413.541 5

Activity (Go SEA)

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