| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-N1-methyl-1-(3-methyl-2-thienyl)-N1-propyl-butane-1,2-diamine (1S,2R)-N1-methyl-1-(3-methyl-2-…
| 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) | 2.82 | 4.69 | -40.24 | 3 | 2 | 1 | 31 | 241.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 3.99 | -1.88 | 2 | 2 | 0 | 29 | 240.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 6.55 | -31.12 | 3 | 2 | 1 | 30 | 241.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 6.81 | -108.36 | 4 | 2 | 2 | 32 | 242.432 | 6 | ↓ |
