In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (3S)-3-amino-4-oxo-4-(4-propylsulfonylpiperazin-1-yl)butanamide (3S)-3-amino-4-oxo-4-(4-propylsu…
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) | -1.10 | -3.28 | -50.78 | 5 | 8 | 1 | 128 | 307.396 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.10 | -3.61 | -19.84 | 4 | 8 | 0 | 127 | 306.388 | 6 | ↓ |