UCSF

ZINC02388255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 19 No

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) 2.42 6.9 -13.03 2 4 0 65 274.242 6
Mid Mid (pH 6-8) 2.54 6.48 -37.02 3 4 1 64 275.25 7
Mid Mid (pH 6-8) 2.54 7.16 -13.77 2 4 0 62 274.242 7
Mid Mid (pH 6-8) 2.54 6.59 -9.06 2 4 0 62 274.242 7

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 160 KeyOrganics

Activity (Go SEA)

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

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