UCSF

ZINC23368138

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 22 No

Popular Name: (3S)-1-[3-[(1,4-dithiepan-6-ylamino)methyl]-2-pyridyl]piperidin-3-ol (3S)-1-[3-[(1,4-dithiepan-6-ylam…

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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) 1.31 5.4 -32.66 3 4 1 50 340.538 4 ↓
Hi High (pH 8-9.5) 1.31 4.22 -7.7 2 4 0 48 339.53 4 ↓
Mid Mid (pH 6-8) 1.31 6.69 -103.98 4 4 2 54 341.546 4 ↓

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