| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-N'-[(5-chloro-2-thienyl)methyl]-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1S)-N'-[(5-chloro-2-thienyl)met…
| 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) | 3.18 | 8.12 | -43.63 | 2 | 2 | 1 | 20 | 309.886 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 7 | -3.4 | 1 | 2 | 0 | 15 | 308.878 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 9.35 | -43.88 | 2 | 2 | 1 | 16 | 309.886 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 10.47 | -123.9 | 3 | 2 | 2 | 21 | 310.894 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
