| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-N1-(cyclobutylmethyl)-N1-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) | 3.41 | 6.32 | -37.14 | 3 | 2 | 1 | 31 | 287.88 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.97 | -0.8 | 2 | 2 | 0 | 29 | 286.872 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 8.37 | -119.53 | 4 | 2 | 2 | 32 | 288.888 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
