In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2008 | 34 | No |
Popular Name: (3Z)-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(4-pentoxyphenyl)imino-indolin-2-one (3Z)-1-(3,4-dihydro-1H-isoquinol…
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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) | 6.71 | 12.98 | -13.24 | 0 | 5 | 0 | 47 | 453.586 | 8 | ↓ |
Ref Reference (pH 7) | 6.71 | 13.28 | -12.34 | 0 | 5 | 0 | 47 | 453.586 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.71 | 15.32 | -48.31 | 1 | 5 | 1 | 48 | 454.594 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.71 | 15.62 | -46.59 | 1 | 5 | 1 | 48 | 454.594 | 8 | ↓ |