| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: N5-(cyclobutylmethyl)-N5-methyl-isoquinoline-5,8-diamine N5-(cyclobutylmethyl)-N5-methyl-…
| 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) | 2.58 | 7.2 | -31.45 | 3 | 3 | 1 | 43 | 242.346 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 6.73 | -5.09 | 2 | 3 | 0 | 42 | 241.338 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.33 | -88.34 | 4 | 3 | 2 | 45 | 243.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
