| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 23 | Yes |
Popular Name: N',N'-dimethyl-N-[(3S)-3-phenylbutyl]-N-(3-pyridylmethyl)ethane-1,2-diamine N',N'-dimethyl-N-[(3S)-3-phenylb…
| 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) | 3.41 | 9.64 | -42.68 | 1 | 3 | 1 | 21 | 312.481 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 7.53 | -4.78 | 0 | 3 | 0 | 19 | 311.473 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 10.01 | -43.57 | 1 | 3 | 1 | 21 | 312.481 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 12.12 | -121.84 | 2 | 3 | 2 | 22 | 313.489 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 10.47 | -86.84 | 2 | 3 | 2 | 22 | 313.489 | 9 | ↓ |
