In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 12 | Yes |
Popular Name: 3-Isoquinolinamine, N-methyl- (9CI) 3-Isoquinolinamine, N-methyl- (9CI)
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CAS Number: 171861-48-6
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) | 2.25 | 5.12 | -29.14 | 2 | 2 | 1 | 26 | 159.212 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 4.65 | -5.97 | 1 | 2 | 0 | 25 | 158.204 | 1 | ↓ |