| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | Yes |
Popular Name: (2R)-N1-isopropyl-2-phenyl-N1-(2-thienylmethyl)propane-1,2-diamine (2R)-N1-isopropyl-2-phenyl-N1-(2…
| 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) | 3.75 | 7.04 | -42.39 | 3 | 2 | 1 | 31 | 289.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.56 | -2.95 | 2 | 2 | 0 | 29 | 288.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 9.11 | -122.49 | 4 | 2 | 2 | 32 | 290.476 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.75 | 8.9 | -33.96 | 3 | 2 | 1 | 30 | 289.468 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
