In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 19 | No |
Popular Name: (2S)-2-carbamothioyl-3-methyl-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]butanamide (2S)-2-carbamothioyl-3-methyl-N-…
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) | 1.85 | 5.51 | -42.41 | 4 | 4 | 1 | 60 | 286.465 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 4.09 | -35.92 | 3 | 4 | 0 | 66 | 285.457 | 6 | ↓ |