| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 16 | Yes |
Popular Name: (3S)-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]butanamide (3S)-3-[[(1R)-2-methyl-1-(2-thie…
| 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) | 3.26 | 3.71 | -33.75 | 4 | 3 | 1 | 60 | 241.38 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 2.95 | -6.55 | 3 | 3 | 0 | 55 | 240.372 | 6 | ↓ |
