UCSF

ZINC71566493

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Popular Name: (7S)-2-[(4-hydroxy-5-propoxy-2-pyridyl)methylsulfanyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno (7S)-2-[(4-hydroxy-5-propoxy-2-p…

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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) 4.35 9.05 -29.45 2 6 0 88 417.556 6 ↓
Mid Mid (pH 6-8) 4.81 7.7 -55.67 1 6 -1 91 416.548 6 ↓

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

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