UCSF

ZINC69743838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 Yes

Popular Name: 5-hydroxy-2-[[(2S)-2-(p-tolyl)pyrrolidin-1-yl]methyl]pyran-4-one 5-hydroxy-2-[[(2S)-2-(p-tolyl)py…

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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) 2.01 7.98 -52.49 2 4 1 55 286.351 3 ↓
Hi High (pH 8-9.5) 2.01 7.03 -54.27 0 4 -1 57 284.335 3 ↓
Mid Mid (pH 6-8) 2.01 8.84 -67.23 1 4 0 58 285.343 3 ↓
Mid Mid (pH 6-8) 2.01 6.16 -14.87 1 4 0 54 285.343 3 ↓

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

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