| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | No |
Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]pyridine-4-carboxamidine 2-[methyl-[(3R)-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) | 0.12 | 5.03 | -97.76 | 5 | 4 | 2 | 69 | 238.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 5.06 | -37.59 | 4 | 4 | 1 | 67 | 237.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 4.72 | -37.38 | 4 | 4 | 1 | 68 | 237.352 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
