UCSF

ZINC52855544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 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) 1.39 8.38 -13.06 2 5 0 62 269.352 5
Mid Mid (pH 6-8) 1.39 9.19 -85.57 4 5 2 64 271.368 5
Mid Mid (pH 6-8) 1.39 8.89 -46.27 3 5 1 63 270.36 5
Mid Mid (pH 6-8) 1.39 8.68 -34.42 3 5 1 63 270.36 5

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

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