| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 27 | No |
Popular Name: 7-[(2R)-4-methyl-2-phenyl-piperazine-1-carbonyl]-2-sulfanyl-3H-quinazolin-4-one 7-[(2R)-4-methyl-2-phenyl-pipera…
| 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) | 1.84 | 4.86 | -40.66 | 1 | 6 | -1 | 75 | 379.465 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 7.2 | -75.91 | 2 | 6 | 0 | 76 | 380.473 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 6.19 | -13.47 | 2 | 6 | 0 | 72 | 380.473 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 8.52 | -61.33 | 3 | 6 | 1 | 73 | 381.481 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
