UCSF

ZINC00096040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Other Names:

MFCD00966218

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) 2.64 -4.37 -12.1 1 3 0 46 231.276 0
Hi High (pH 8-9.5) 2.64 -3.8 -47.48 0 3 -1 48 230.268 0

Vendor Notes

Note Type Comments Provided By
melting_point Solid KeyOrganics

Activity (Go SEA)

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

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