In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 17 | Yes |
Popular Name: (2S,3S)-N3,N3-bis(2-methoxyethyl)-N2-propyl-butane-2,3-diamine (2S,3S)-N3,N3-bis(2-methoxyethyl…
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) | 1.64 | 5.18 | -94.06 | 3 | 4 | 2 | 40 | 248.411 | 11 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 2.18 | -2.38 | 1 | 4 | 0 | 34 | 246.395 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 3.24 | -31.85 | 2 | 4 | 1 | 38 | 247.403 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 3.8 | -28.45 | 2 | 4 | 1 | 35 | 247.403 | 11 | ↓ |