| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-N1-[(5-chloro-2-thienyl)methyl]-1-(4-fluorophenyl)-N1-methyl-butane-1,2-diamine (1S,2R)-N1-[(5-chloro-2-thienyl)…
| 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) | 3.93 | 9.53 | -132.28 | 4 | 2 | 2 | 32 | 328.884 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 6.6 | -50.6 | 3 | 2 | 1 | 31 | 327.876 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 9.11 | -38.97 | 3 | 2 | 1 | 30 | 327.876 | 6 | ↓ |
