UCSF

ZINC71598529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 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) 0.70 1.36 -46.56 4 5 1 67 267.349 5
Lo Low (pH 4.5-6) 0.70 1.91 -109.56 5 5 2 72 268.357 5

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 137 KeyOrganics
MP 135-137° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.