| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | No |
Popular Name: (1S)-N'-methyl-1-phenyl-N'-[(3R)-tetrahydrothiophen-3-yl]ethane-1,2-diamine (1S)-N'-methyl-1-phenyl-N'-[(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) | 0.10 | 4.92 | -46.24 | 3 | 2 | 1 | 31 | 237.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 4.51 | -3.28 | 2 | 2 | 0 | 29 | 236.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 7.1 | -37.69 | 3 | 2 | 1 | 30 | 237.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 6.76 | -129.2 | 4 | 2 | 2 | 32 | 238.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
