In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 17 | No |
Popular Name: 4-[[(2S)-3-amino-2-methyl-3-thioxo-propyl]-ethyl-amino]-N,N-dimethyl-butanamide 4-[[(2S)-3-amino-2-methyl-3-thio…
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) | -0.17 | 5.32 | -43.97 | 3 | 4 | 1 | 51 | 260.427 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.17 | 3.45 | -12.82 | 2 | 4 | 0 | 50 | 259.419 | 8 | ↓ |