UCSF

ZINC63009033

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 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) 0.78 4.36 -47.48 1 7 -1 102 292.246 3
Hi High (pH 8-9.5) 0.97 2.62 -97.15 0 7 -2 108 291.238 3

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

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