UCSF

ZINC52424384

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 20 Yes

Popular Name: 2-methyl-N-[[(2S,5R)-5-[(4-methyl-1,4-diazepan-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amin 2-methyl-N-[[(2S,5R)-5-[(4-methy…

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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 8.58 -182.34 4 4 3 35 286.484 6 ↓
Hi High (pH 8-9.5) 1.42 4.21 -33.97 2 4 1 32 284.468 6 ↓
Mid Mid (pH 6-8) 1.42 6.69 -83.39 3 4 2 34 285.476 6 ↓

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

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