| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: (2S)-N2,N2,3-trimethyl-N1-[(1R)-1-(3-methylbenzothiophen-2-yl)ethyl]butane-1,2-diamine (2S)-N2,N2,3-trimethyl-N1-[(1R)-…
| 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) | 4.78 | 11.15 | -32.14 | 2 | 2 | 1 | 16 | 305.511 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.78 | 8.88 | -3.81 | 1 | 2 | 0 | 15 | 304.503 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 8.68 | -35.51 | 2 | 2 | 1 | 20 | 305.511 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 10.68 | -115.36 | 3 | 2 | 2 | 21 | 306.519 | 6 | ↓ |
