| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 15 | Yes |
Popular Name: (2S,3R)-N1,3-dimethyl-N1-(3-thienylmethyl)pentane-1,2-diamine (2S,3R)-N1,3-dimethyl-N1-(3-thie…
| 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) | 1.82 | 6.3 | -125.58 | 4 | 2 | 2 | 32 | 228.405 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 5.94 | -32.59 | 3 | 2 | 1 | 30 | 227.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 4.42 | -40.47 | 3 | 2 | 1 | 31 | 227.397 | 6 | ↓ |
