UCSF

ZINC69237688

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 Yes

Popular Name: (1R)-N'-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-ethane-1,2-diamine (1R)-N'-(cyclopropylmethyl)-1-(2…

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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) 0.21 6.26 -39.59 3 4 1 49 277.388 6 ↓
Hi High (pH 8-9.5) 0.21 4.42 -4.63 2 4 0 48 276.38 6 ↓
Lo Low (pH 4.5-6) 0.21 6.6 -133.52 4 4 2 51 278.396 6 ↓

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

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