In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 17 | No |
Popular Name: (2R)-2-carbamothioyl-N-[(1S)-1-methyl-2-pyrrolidin-1-yl-ethyl]butanamide (2R)-2-carbamothioyl-N-[(1S)-1-m…
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) | 0.35 | 4.76 | -45.35 | 4 | 4 | 1 | 60 | 258.411 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 2.87 | -35.77 | 3 | 4 | 0 | 66 | 257.403 | 6 | ↓ |