UCSF

ZINC20358452

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 No

Popular Name: (5S)-3-hydroxy-4-[(2S)-2-methyl2,3-dihydrobenzofuran-5-carbonyl]-5-(5-methyl-2-furyl)-1-(2-morpholin (5S)-3-hydroxy-4-[(2S)-2-methyl2…

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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) 2.12 6.14 -61.17 0 8 -1 95 451.499 6 ↓
Mid Mid (pH 6-8) 2.12 8.48 -71.85 1 8 0 96 452.507 6 ↓
Lo Low (pH 4.5-6) 2.12 7.66 -51.98 2 8 1 94 453.515 6 ↓

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

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