UCSF

ZINC69977594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 18 Yes

Popular Name: (3S)-3-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-1-methyl-pyrrolidin-2-one (3S)-3-(4-hydroxy-6-propyl-pyrim…

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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 5 -14.53 1 5 0 66 267.354 4 ↓
Mid Mid (pH 6-8) 2.38 3.33 -62.23 0 5 -1 69 266.346 4 ↓

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

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