| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 16 | Yes |
Popular Name: (2S,3R)-N1,3-dimethyl-N1-[(2-methylthiazol-4-yl)methyl]pentane-1,2-diamine (2S,3R)-N1,3-dimethyl-N1-[(2-met…
| 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) | 1.11 | 3.56 | -42.59 | 3 | 3 | 1 | 44 | 242.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 5.14 | -30.35 | 3 | 3 | 1 | 43 | 242.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 5.45 | -123.13 | 4 | 3 | 2 | 45 | 243.42 | 6 | ↓ |
