| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1-ethyl-N1-[(1S)-2-methoxy-1-methyl-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) | 3.06 | 5.29 | -29.64 | 3 | 3 | 1 | 40 | 305.895 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.25 | -37.12 | 3 | 3 | 1 | 40 | 305.895 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 4.01 | -1.78 | 2 | 3 | 0 | 38 | 304.887 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 5.6 | -115.52 | 4 | 3 | 2 | 41 | 306.903 | 8 | ↓ |
