UCSF

ZINC53033047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 19 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) 2.34 7.44 -82.69 3 3 2 24 269.477 7
Mid Mid (pH 6-8) 2.34 7.69 -103.14 3 3 2 24 269.477 7
Mid Mid (pH 6-8) 2.34 9.89 -192.54 4 3 3 25 270.485 7
Mid Mid (pH 6-8) 2.34 5.21 -38.32 2 3 1 23 268.469 7

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

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