| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1-(cyclopropylmethyl)-N1-ethyl-butane-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) | 3.61 | 6.45 | -44.07 | 3 | 2 | 1 | 31 | 287.88 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 6.04 | -1.07 | 2 | 2 | 0 | 29 | 286.872 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 8.15 | -115.72 | 4 | 2 | 2 | 32 | 288.888 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
