UCSF

ZINC04261927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 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) -0.63 4.69 -22.15 4 5 1 81 297.382 2
Ref Reference (pH 7) 0.24 5.71 -9.77 4 5 0 79 297.382 3

Vendor Notes

Note Type Comments Provided By
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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