UCSF

ZINC01386817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 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) 2.94 8.49 -8.7 1 5 0 56 309.369 5
Lo Low (pH 4.5-6) 2.94 8.96 -32.51 2 5 1 58 310.377 5

Vendor Notes

Note Type Comments Provided By
melting_point 213 - 215 KeyOrganics

Activity (Go SEA)

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

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