UCSF

ZINC37183912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 Yes

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) -0.57 0.78 -38.5 4 6 1 87 235.267 5
Hi High (pH 8-9.5) -0.57 0.05 -18.95 3 6 0 86 234.259 5
Mid Mid (pH 6-8) -0.57 1.96 -103.41 5 6 2 92 236.275 5
Mid Mid (pH 6-8) -0.57 1.35 -43.27 4 6 1 91 235.267 5

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

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