| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 22 | Yes |
Popular Name: (1S)-2-[[5-(dimethylamino)-1,3-dimethyl-pyrazol-4-yl]methylamino]-1-(3-fluorophenyl)ethanol (1S)-2-[[5-(dimethylamino)-1,3-d…
| 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) | 1.27 | 4.4 | -29.41 | 3 | 5 | 1 | 55 | 307.393 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 4.29 | -8.72 | 2 | 5 | 0 | 53 | 306.385 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 5.9 | -104.11 | 4 | 5 | 2 | 59 | 308.401 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
