In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 12 | Yes |
Popular Name: 1,7-Isoquinolinediamine (9CI) 1,7-Isoquinolinediamine (9CI)
Find On: PubMed — Wikipedia — Google
CAS Number: 244219-96-3
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) | 0.71 | 2.18 | -27.6 | 5 | 3 | 1 | 66 | 160.2 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 1.72 | -7.02 | 4 | 3 | 0 | 65 | 159.192 | 0 | ↓ |