UCSF

ZINC62868778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 21 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) -0.17 4.33 -62.6 1 7 -1 106 292.315 2
Mid Mid (pH 6-8) 0.28 2.61 -110.42 0 7 -2 109 291.307 2

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

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