In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 12 | No |
Popular Name: (2S,3S)-3-methyl-2-(2-sulfanylethylamino)pentanamide (2S,3S)-3-methyl-2-(2-sulfanylet…
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) | 1.32 | 1.15 | -40.27 | 4 | 3 | 1 | 60 | 191.32 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 0.24 | -5.72 | 3 | 3 | 0 | 55 | 190.312 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.32 | 1.69 | -46.73 | 4 | 3 | 0 | 60 | 190.312 | 6 | ↓ |