UCSF

ZINC52370998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 No

Popular Name: N-[(2R)-2-(1,4-thiazepan-4-yl)butyl]cyclopropanamine N-[(2R)-2-(1,4-thiazepan-4-yl)bu…

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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) 2.02 6.97 -34.54 2 2 1 20 229.413 5 ↓
Mid Mid (pH 6-8) 2.02 8.16 -108.11 3 2 2 21 230.421 5 ↓

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

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