UCSF

ZINC02022066

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 12 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) -1.97 0.34 -46.36 0 4 -1 70 186.212 3
Lo Low (pH 4.5-6) -1.97 0.61 -51.31 1 4 0 71 187.22 3

Vendor Notes

Note Type Comments Provided By
melting_point 268 KeyOrganics

Activity (Go SEA)

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

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