In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 17 | No |
Popular Name: (2R)-2-carbamothioyl-N-[2-(2-pyridyl)ethyl]butanamide (2R)-2-carbamothioyl-N-[2-(2-pyr…
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) | 0.22 | 3.05 | -9.93 | 3 | 4 | 0 | 68 | 251.355 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.22 | 3.4 | -37.73 | 4 | 4 | 1 | 69 | 252.363 | 6 | ↓ |