| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(S)-(1-methylimidazol-2-yl)-(2-thienyl)methyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(S)-(1-me…
| 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) | 2.45 | 8.96 | -89.11 | 3 | 4 | 2 | 36 | 308.495 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 6.37 | -7.18 | 1 | 4 | 0 | 33 | 306.479 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 8.31 | -38.81 | 2 | 4 | 1 | 34 | 307.487 | 8 | ↓ |
