UCSF

ZINC69237335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.55 8.9 -126.67 4 2 2 32 339.321 5
Hi High (pH 8-9.5) 3.55 6.73 -1.52 2 2 0 29 337.305 5
Mid Mid (pH 6-8) 3.55 7.06 -46.2 3 2 1 31 338.313 5
Mid Mid (pH 6-8) 3.55 8.87 -34.02 3 2 1 30 338.313 5

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

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