In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 20 | Yes |
Popular Name: N,N'-bis(3-aminopropyl)-N,N'-dimethyl-octane-1,8-diamine N,N'-bis(3-aminopropyl)-N,N'-dim…
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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) | 1.08 | 7 | -236.42 | 8 | 4 | 4 | 64 | 290.54 | 15 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 2.38 | -89.95 | 6 | 4 | 2 | 62 | 288.524 | 15 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 4.39 | -83.13 | 6 | 4 | 2 | 61 | 288.524 | 15 | ↓ |
Mid Mid (pH 6-8) | 1.09 | 4.76 | -158.68 | 7 | 4 | 3 | 63 | 289.532 | 15 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 6.62 | -153.88 | 7 | 4 | 3 | 63 | 289.532 | 15 | ↓ |