UCSF

ZINC23358350

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 No

Popular Name: (3S)-1-(1,4-dithiepan-6-yl)-N-methyl-N-phenethyl-piperidin-3-amine (3S)-1-(1,4-dithiepan-6-yl)-N-me…

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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) 3.47 10.88 -42.95 1 2 1 8 351.605 5 ↓
Hi High (pH 8-9.5) 3.47 8.58 -3.36 0 2 0 6 350.597 5 ↓
Lo Low (pH 4.5-6) 3.47 13.03 -118.84 2 2 2 9 352.613 5 ↓

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