| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2005 | 21 | No |
Popular Name: 3-amino-5-(4-isopropylphenyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-3,7,9-triene-4-carbonitrile 3-amino-5-(4-isopropylphenyl)-2,…
| 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) | 1.31 | 9.84 | -10.13 | 3 | 6 | 0 | 93 | 280.335 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 9.79 | -32.86 | 2 | 6 | -1 | 94 | 279.327 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 9.61 | -55.5 | 4 | 6 | 1 | 94 | 281.343 | 2 | ↓ |
