UCSF

ZINC62030980

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(3-methoxypropyl)-N,N'-dimethyl-ethane-1,2-diamine (1S)-1-(2,3-dihydro-1,4-benzodio…

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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) 1.47 4.71 -36.93 2 5 1 44 295.403 8 ↓
Lo Low (pH 4.5-6) 1.47 6.2 -127.41 3 5 2 49 296.411 8 ↓

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

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