UCSF

ZINC37624731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 17 Yes

Other Names:

MFCD10700065

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) 4.10 8.61 -45.96 2 1 1 17 224.327 2
Hi High (pH 8-9.5) 4.10 7.15 -2.75 1 1 0 12 223.319 2

Vendor Notes

Note Type Comments Provided By
MP 61-63° Oakwood Chemical

Activity (Go SEA)

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

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