| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2004 | 24 | No |
Popular Name: (6Z)-6-[4-[(3S)-3-methylpiperidino]-3H-quinazolin-1-ium-2-ylidene]cyclohexa-2,4-dien-1-one (6Z)-6-[4-[(3S)-3-methylpiperidi…
| 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) | 4.30 | 10.88 | -40.56 | 2 | 4 | 1 | 50 | 320.416 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 11.71 | -124.95 | 3 | 4 | 2 | 51 | 321.424 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 9.91 | -10.08 | 1 | 4 | 0 | 49 | 319.408 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.76 | 11.04 | -35.35 | 1 | 4 | 0 | 53 | 319.408 | 2 | ↓ |
