In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | Yes |
Popular Name: (1S,2R)-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]indan-1-ol (1S,2R)-2-[(3R)-3-(dimethylamino…
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) | 1.28 | 4.54 | -33.47 | 2 | 3 | 1 | 28 | 247.362 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 2.26 | -4.58 | 1 | 3 | 0 | 27 | 246.354 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 4.67 | -34.91 | 2 | 3 | 1 | 28 | 247.362 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 6.95 | -105.22 | 3 | 3 | 2 | 29 | 248.37 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.