UCSF

ZINC61455481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 Yes

Popular Name: (1S)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(cyclobutylmethyl)-N-methyl-ethane-1,2-diamine (1S)-1-(5-chloro-2,3-dihydro-1,4…

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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) 2.08 4.76 -48.9 3 4 1 49 311.833 5 ↓
Lo Low (pH 4.5-6) 2.08 6.75 -128.4 4 4 2 51 312.841 5 ↓

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Rings

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

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