| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (3S)-3-[[(1R)-1-(2-pyridyl)ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-(2-pyridyl)ethyl…
| 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) | 1.88 | 7.65 | -30.2 | 2 | 4 | 0 | 70 | 276.361 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 6.52 | -46.67 | 1 | 4 | -1 | 65 | 275.353 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
