UCSF

ZINC44197605

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 4.88 6.71 -47.96 1 5 -1 78 258.338 9

Vendor Notes

Note Type Comments Provided By
Boiling_Point n.d. Squarix

Activity (Go SEA)

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