In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 29 | Yes |
Popular Name: (3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone (3-benzhydryl-1,4,6,7-tetrahydro…
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) | 3.23 | 9.88 | -44.51 | 3 | 5 | 1 | 66 | 387.507 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 8.82 | -13.99 | 2 | 5 | 0 | 61 | 386.499 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.