In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (3S)-N1-(2-methoxyethyl)-N1-[(1S)-2-methoxy-1-methyl-ethyl]-N3-methyl-butane-1,3-diamine (3S)-N1-(2-methoxyethyl)-N1-[(1S…
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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) | 1.03 | 4.44 | -99.76 | 3 | 4 | 2 | 40 | 234.384 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 2.95 | -29.34 | 2 | 4 | 1 | 35 | 233.376 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 1.84 | -39.27 | 2 | 4 | 1 | 38 | 233.376 | 10 | ↓ |