In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 16 | No |
Popular Name: (2R)-2-carbamothioyl-N-[(3R)-1-methylpyrrolidin-3-yl]pentanamide (2R)-2-carbamothioyl-N-[(3R)-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) | 0.29 | 3.67 | -41.07 | 4 | 4 | 1 | 60 | 244.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.48 | 2.44 | -44.16 | 3 | 4 | 0 | 66 | 243.376 | 5 | ↓ |