UCSF

ZINC38579744

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 16 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) 0.66 2.63 -7.41 1 4 0 51 212.256 1
Mid Mid (pH 6-8) 0.66 4.02 -53.49 2 4 1 55 213.264 1

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

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