UCSF

ZINC01391225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 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) 2.16 0.32 -10.8 0 5 0 56 287.323 4
Lo Low (pH 4.5-6) 2.16 0.46 -36.85 1 5 1 57 288.331 4

Vendor Notes

Note Type Comments Provided By
melting_point 86 - 88 KeyOrganics

Activity (Go SEA)

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

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