| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | No |
Popular Name: 1-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]isoquinoline-3-carboxylic 1-[methyl-[(3S)-tetrahydrothioph…
| 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) | 2.95 | 10.02 | -30.98 | 1 | 4 | 0 | 58 | 288.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.95 | 9.62 | -56.39 | 0 | 4 | -1 | 56 | 287.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
