UCSF

ZINC65493519

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 18 No

Popular Name: 2-[(2S)-1-(1,4-dithiepan-6-yl)pyrrolidin-2-yl]pyridine 2-[(2S)-1-(1,4-dithiepan-6-yl)py…

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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) 2.06 9.08 -28.87 1 2 1 17 281.47 2 ↓
Mid Mid (pH 6-8) 2.06 6.73 -5.69 0 2 0 16 280.462 2 ↓

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

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