| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | No |
Popular Name: (2R)-N1-methyl-2-phenyl-N1-[(3R)-tetrahydrothiophen-3-yl]propane-1,2-diamine (2R)-N1-methyl-2-phenyl-N1-[(3R)…
| 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) | 2.43 | 5.74 | -44.08 | 3 | 2 | 1 | 31 | 251.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5.49 | -2.95 | 2 | 2 | 0 | 29 | 250.411 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.49 | -126.91 | 4 | 2 | 2 | 32 | 252.427 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.23 | -38.65 | 3 | 2 | 1 | 30 | 251.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
