In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (3S)-3-amino-4-[(2S)-2-[2-(methanesulfonamido)ethyl]-1-piperidyl]-4-oxo-butanamide (3S)-3-amino-4-[(2S)-2-[2-(metha…
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) | -0.92 | -4.13 | -47.95 | 6 | 8 | 1 | 137 | 321.423 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.92 | -4.49 | -19.72 | 5 | 8 | 0 | 136 | 320.415 | 7 | ↓ |