UCSF

ZINC13535099

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 16 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) 1.15 4.37 -62.51 1 6 -1 91 226.208 6
Lo Low (pH 4.5-6) 1.15 3.39 -14.67 2 6 0 89 227.216 6

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

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