UCSF

ZINC32577814

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 17 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) 2.63 7.18 -117.68 3 2 2 21 236.403 1
Hi High (pH 8-9.5) 2.63 5.02 -37.75 2 2 1 20 235.395 1
Mid Mid (pH 6-8) 2.63 5.82 -29.78 2 2 1 16 235.395 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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