UCSF

ZINC61317633

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 Yes

Popular Name: 2-methyl-2-(methylamino)-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-1-yl]propan-1-one 2-methyl-2-(methylamino)-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) 0.80 5.64 -86.9 3 5 2 51 285.432 4 ↓
Hi High (pH 8-9.5) 0.80 3.84 -7.23 1 5 0 45 283.416 4 ↓
Hi High (pH 8-9.5) 0.80 5.73 -34.05 2 5 1 46 284.424 4 ↓
Mid Mid (pH 6-8) 0.80 3.96 -42.1 2 5 1 49 284.424 4 ↓

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

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