In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N,N-diethyl-N'-[[3-(3-pyridyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine N,N-diethyl-N'-[[3-(3-pyridyl)-1…
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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) | 1.19 | 5.58 | -38.48 | 3 | 5 | 1 | 58 | 274.392 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.19 | 3.84 | -40.28 | 3 | 5 | 1 | 61 | 274.392 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 5.94 | -112.21 | 4 | 5 | 2 | 63 | 275.4 | 8 | ↓ |