UCSF

ZINC37822952

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: 2-(cyclopropylmethylamino)-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone 2-(cyclopropylmethylamino)-1-[4-…

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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) 0.51 7.63 -95.73 3 5 2 51 297.443 6 ↓
Hi High (pH 8-9.5) 0.51 6.26 -36.74 2 5 1 46 296.435 6 ↓

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