| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | No |
Popular Name: (3R)-3-[[(4S)-isothiochroman-4-yl]amino]-3-(2-thienyl)propanoic (3R)-3-[[(4S)-isothiochroman-4-y…
| 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) | 2.99 | 9.83 | -27.9 | 2 | 3 | 0 | 57 | 319.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 9.1 | -46.36 | 1 | 3 | -1 | 52 | 318.443 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
