UCSF

ZINC13673278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 11 No

Popular Name: (5S)-4-hydroxy-5-methyl-3-propyl-5H-thiophen-2-one (5S)-4-hydroxy-5-methyl-3-propyl…

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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) 1.92 3.8 -10.33 0 2 0 34 172.249 2 ↓
Mid Mid (pH 6-8) 2.50 3.8 -34.61 0 2 -1 40 171.241 2 ↓
Mid Mid (pH 6-8) 2.50 3.8 -34.62 0 2 -1 40 171.241 2 ↓
Mid Mid (pH 6-8) 1.92 4.84 -4.47 0 2 0 34 172.249 2 ↓
Mid Mid (pH 6-8) 1.92 4.84 -4.46 0 2 0 34 172.249 2 ↓

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

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