UCSF

ZINC69771801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: (3R,5S)-3-[4-[(2S)-2-hydroxy-3-phenoxy-propyl]piperazin-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[4-[(2S)-2-hydroxy-3-p…

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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) 0.21 2.64 -14.24 1 6 0 62 334.416 6 ↓
Mid Mid (pH 6-8) 0.21 4.94 -46.49 2 6 1 63 335.424 6 ↓

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Rings

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

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