UCSF

ZINC52854830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 1.68 8.34 -43.43 3 5 1 63 284.387 5
Mid Mid (pH 6-8) 1.68 7.86 -13.94 2 5 0 62 283.379 5
Mid Mid (pH 6-8) 1.68 8.2 -32.65 3 5 1 63 284.387 5
Mid Mid (pH 6-8) 1.68 8.63 -82.85 4 5 2 64 285.395 5

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

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