In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | Yes |
Popular Name: (2R)-N2-(2-dimethylaminoethyl)-3-methyl-N2-propyl-butane-1,2-diamine (2R)-N2-(2-dimethylaminoethyl)-3…
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) | 1.17 | 4.52 | -104.16 | 4 | 3 | 2 | 35 | 217.401 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.17 | 2.06 | -42.84 | 3 | 3 | 1 | 34 | 216.393 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.17 | 5.28 | -204.68 | 5 | 3 | 3 | 37 | 218.409 | 8 | ↓ |