| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2006 | 30 | No |
Popular Name: 3-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]aminoimino]indolin-2-one 3-[[4,6-bis(1-piperidyl)-1,3,5-t…
| 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) | 4.42 | 15.56 | -14.29 | 2 | 9 | 0 | 102 | 406.494 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 13.8 | -53.23 | 1 | 9 | -1 | 105 | 405.486 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.61 | 14.4 | -59.33 | 1 | 9 | -1 | 109 | 405.486 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 13.54 | -55.98 | 1 | 9 | -1 | 105 | 405.486 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.24 | 16.04 | -80.42 | 4 | 9 | 2 | 102 | 408.51 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.42 | 16.02 | -22.72 | 3 | 9 | 1 | 104 | 407.502 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.42 | 15.9 | -31.2 | 3 | 9 | 1 | 104 | 407.502 | 4 | ↓ |
