In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 19 | Yes |
Popular Name: 1-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-2-(tetrazol-1-yl)ethanone 1-[(3R)-3-amino-3,4-dihydro-2H-q…
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) | -0.78 | 3.5 | -86.96 | 3 | 7 | 1 | 92 | 259.293 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.78 | 3.18 | -22.16 | 2 | 7 | 0 | 90 | 258.285 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.