| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S)-N'-isopropyl-N-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-N'-isopropyl-N-methyl-1-phe…
| 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) | 3.05 | 8.8 | -42.19 | 2 | 2 | 1 | 20 | 303.495 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 7.74 | -3.01 | 1 | 2 | 0 | 15 | 302.487 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 9.36 | -32.97 | 2 | 2 | 1 | 16 | 303.495 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 10.47 | -116.17 | 3 | 2 | 2 | 21 | 304.503 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
