In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 17 | Yes |
Popular Name: N-(2-cyanoethyl)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]acetamide N-(2-cyanoethyl)-2-[[(3R)-1-cycl…
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) | -0.32 | 3.16 | -44.64 | 3 | 5 | 1 | 69 | 237.327 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.32 | 4.3 | -123.02 | 4 | 5 | 2 | 74 | 238.335 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.32 | 1.8 | -53.55 | 3 | 5 | 1 | 73 | 237.327 | 6 | ↓ |