In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 24 | No |
Popular Name: N-(5-isoquinolyl)-N'-[[(1R,2S,4S)-norbornan-2-yl]methyl]oxamide N-(5-isoquinolyl)-N'-[[(1R,2S,4S…
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) | 2.20 | 6.03 | -7.66 | 2 | 5 | 0 | 71 | 323.396 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 6.5 | -38.55 | 3 | 5 | 1 | 72 | 324.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.