| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 23 | Yes |
Popular Name: 2-[[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[(3S)-4-(2-methoxyethyl)-3-me…
| 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) | 1.10 | 5.2 | -47.43 | 2 | 6 | 1 | 63 | 317.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 2.59 | -42.55 | 1 | 6 | 0 | 66 | 316.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 2.99 | -10.23 | 1 | 6 | 0 | 61 | 316.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 5.24 | -40.44 | 2 | 6 | 1 | 63 | 317.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
