| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2011 | 27 | No |
Popular Name: 3-ethyl-7-(4-isopentylpiperazine-1-carbonyl)-2-sulfanyl-quinazolin-4-one 3-ethyl-7-(4-isopentylpiperazine…
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| 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) | 2.36 | 9.36 | -60.63 | 1 | 6 | 0 | 66 | 388.537 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 10.62 | -56.03 | 2 | 6 | 1 | 63 | 389.545 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 7.13 | -34.81 | 0 | 6 | -1 | 64 | 387.529 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
