| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: (2S)-1-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-3-morpholino-propan-2-ol (2S)-1-[[(1S)-2-hydroxy-1-phenyl…
| 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) | 0.28 | -1.04 | -42.79 | 4 | 5 | 1 | 70 | 281.376 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 1.76 | -43.77 | 4 | 5 | 1 | 74 | 281.376 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | -0.52 | -30.78 | 3 | 5 | 0 | 72 | 280.368 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.28 | 1.22 | -109.72 | 5 | 5 | 2 | 71 | 282.384 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
