| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 29 | Yes |
Popular Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-(o-tolylmethyl)piperazin-1-yl]methyl]phenyl]but-3-yn-1-ol 4-[4-[[(3S)-3-(2-hydroxyethyl)-4…
| 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) | 2.90 | 7.79 | -47.46 | 3 | 4 | 1 | 48 | 393.551 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 7.39 | -39.32 | 3 | 4 | 1 | 48 | 393.551 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 5.54 | -7.7 | 2 | 4 | 0 | 47 | 392.543 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
