UCSF

ZINC54714880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 19 No

Popular Name: (2R)-3-chloro-2-methyl-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]propan-1-one (2R)-3-chloro-2-methyl-1-[4-[[(2…

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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) 1.55 7.49 -37.53 1 4 1 34 289.827 4 ↓
Hi High (pH 8-9.5) 1.55 5.6 -6.92 0 4 0 33 288.819 4 ↓

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

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