| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2009 | 25 | No |
Popular Name: 3-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]pentane-2,4-dione 3-[(3-allyl-4-oxo-5H-pyrimido[5,…
| 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) | 3.72 | 9.66 | -49.14 | 1 | 6 | -1 | 91 | 354.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.44 | -12.04 | 1 | 6 | 0 | 85 | 355.419 | 6 | ↓ |
![3,5-dihydropyrimido[5,4-b]indol-4-one](http://zinc12.docking.org/img/rings/1989.gif)
