| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 20 | Yes |
Popular Name: (2S)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-N',N',3-trimethyl-butane-1,2-diamine (2S)-N-[(1R)-1-(4-isopropylpheny…
| 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) | 4.71 | 9.12 | -35.74 | 2 | 2 | 1 | 20 | 277.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 11 | -31.08 | 2 | 2 | 1 | 16 | 277.476 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.71 | 10.27 | -115.75 | 3 | 2 | 2 | 21 | 278.484 | 7 | ↓ |
