| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1-methyl-N1-[(5-methyl-2-furyl)methyl]butane-1,2-diamine (1S,2S)-1-(5-chloro-2-thienyl)-N…
| 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) | 3.24 | 6 | -46.28 | 3 | 3 | 1 | 44 | 313.874 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.67 | -4.1 | 2 | 3 | 0 | 42 | 312.866 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 8.01 | -38.22 | 3 | 3 | 1 | 44 | 313.874 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 8.31 | -118.42 | 4 | 3 | 2 | 45 | 314.882 | 6 | ↓ |
