UCSF

ZINC20896843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 35 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) 1.64 3.56 -59.85 2 12 -1 152 473.425 3
Mid Mid (pH 6-8) 2.10 0.97 -129.28 1 12 -2 155 472.417 3
Mid Mid (pH 6-8) 1.18 6.31 -21.02 3 12 0 149 474.433 3
Mid Mid (pH 6-8) 1.64 4.51 -62.5 2 12 -1 152 473.425 3

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

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