| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 19 | Yes |
Popular Name: (2S)-4-(3-isopropylphenoxy)-N,N,2-trimethyl-butane-1,2-diamine (2S)-4-(3-isopropylphenoxy)-N,N,…
| 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) | 3.02 | 5.01 | -43.8 | 3 | 3 | 1 | 40 | 265.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.59 | -34.15 | 3 | 3 | 1 | 40 | 265.421 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.06 | -123.73 | 4 | 3 | 2 | 41 | 266.429 | 7 | ↓ |
