| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: (4-amino-6,6-dimethyl-1H-s-triazin-5-ium-2-yl)-(4-chlorophenyl)amine (4-amino-6,6-dimethyl-1H-s-triaz…
| 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) | 1.03 | 7.29 | -27.7 | 5 | 5 | 1 | 76 | 252.729 | 2 | ↓ |
| Ref Reference (pH 7) | 1.16 | 6.36 | -5.44 | 4 | 5 | 0 | 72 | 251.721 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 6.71 | -12.27 | 4 | 5 | 0 | 78 | 251.721 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 6.88 | -34.74 | 5 | 5 | 1 | 76 | 252.729 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 6.39 | -12.33 | 4 | 5 | 0 | 75 | 251.721 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 7.41 | -28.08 | 5 | 5 | 1 | 76 | 252.729 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 6.36 | -5.34 | 4 | 5 | 0 | 72 | 251.721 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 6.02 | -5.03 | 4 | 5 | 0 | 75 | 251.721 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 6.45 | -11.69 | 4 | 5 | 0 | 75 | 251.721 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 6.3 | -35.38 | 5 | 5 | 1 | 74 | 252.729 | 1 | ↓ |
