UCSF

ZINC04891200

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 16 No

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) 2.91 4.8 -26.31 1 2 0 26 273.188 1
Hi High (pH 8-9.5) 2.91 4.38 -35.08 0 2 -1 25 272.18 1

Activity (Go SEA)

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