UCSF

ZINC19973703

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 No

Popular Name: (3R,4R)-3,4-bis(1-piperidyl)thiolane (3R,4R)-3,4-bis(1-piperidyl)thio…

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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) 1.42 5.63 -129.79 2 4 2 43 288.457 2 ↓
Mid Mid (pH 6-8) 1.42 2.83 -9.14 0 4 0 41 286.441 2 ↓
Mid Mid (pH 6-8) 1.42 5.03 -47.62 1 4 1 42 287.449 2 ↓

Activity (Go SEA)

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