| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 15 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1,N1-diethyl-propane-1,2-diamine (1S,2R)-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) | 2.58 | 4.22 | -41.33 | 3 | 2 | 1 | 31 | 247.815 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 5.37 | -32.73 | 3 | 2 | 1 | 30 | 247.815 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 4.53 | -1.45 | 2 | 2 | 0 | 29 | 246.807 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 5.8 | -109.23 | 4 | 2 | 2 | 32 | 248.823 | 5 | ↓ |
