In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: (2S,3S)-N2-(2-dimethylaminoethyl)-N2-isobutyl-pentane-2,3-diamine (2S,3S)-N2-(2-dimethylaminoethyl…
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) | 1.57 | 5.38 | -91.88 | 4 | 3 | 2 | 35 | 231.428 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 2.9 | -36.77 | 3 | 3 | 1 | 34 | 230.42 | 8 | ↓ |