UCSF

ZINC56697190

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 17 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) 3.85 5.38 -42.6 0 2 -1 36 325.232 2
Lo Low (pH 4.5-6) 3.39 7.3 -8.07 1 2 0 33 326.24 2

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

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