In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 21 | Yes |
Popular Name: 2-[(2S)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3R)-1,2,3,4-tetrahyd…
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) | 0.73 | 5.95 | -53.97 | 1 | 5 | -1 | 72 | 287.339 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 8.6 | -58.08 | 2 | 5 | 0 | 77 | 288.347 | 3 | ↓ |