| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-(cyclobutylmethyl)-N-methyl-ethane-1,2-diamine (1S)-1-(5-chloro-2-thienyl)-N-(c…
| 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) | 2.47 | 5.09 | -41.27 | 3 | 2 | 1 | 31 | 259.826 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.33 | -2.04 | 2 | 2 | 0 | 29 | 258.818 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 6.68 | -123.49 | 4 | 2 | 2 | 32 | 260.834 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
