UCSF

ZINC62030628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Popular Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N'-(3-methoxypropyl)-N'-methyl-ethane-1,2-diamine (1S)-1-(3,4-dihydro-2H-1,5-benzo…

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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 4.86 -40.72 3 5 1 58 295.403 7 ↓
Hi High (pH 8-9.5) -0.51 3.19 -49.58 3 5 1 59 295.403 7 ↓
Hi High (pH 8-9.5) -0.51 2.54 -6.94 2 5 0 57 294.395 7 ↓
Lo Low (pH 4.5-6) -0.51 5.22 -139.48 4 5 2 60 296.411 7 ↓

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Rings

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

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