| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (1R,2R)-N1-isobutyl-N1-methyl-1-(3-methyl-2-thienyl)propane-1,2-diamine (1R,2R)-N1-isobutyl-N1-methyl-1-…
| 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) | 2.53 | 4.94 | -38.44 | 3 | 2 | 1 | 31 | 241.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 5.99 | -29.95 | 3 | 2 | 1 | 30 | 241.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 4.64 | -1.16 | 2 | 2 | 0 | 29 | 240.416 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 6.31 | -105.25 | 4 | 2 | 2 | 32 | 242.432 | 5 | ↓ |
