In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 15 | Yes |
Popular Name: (1R)-1-cyclopropyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (1R)-1-cyclopropyl-2-[3-(trifluo…
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) | 1.25 | 4.05 | -46.36 | 3 | 3 | 1 | 45 | 220.218 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 3.58 | -7.12 | 2 | 3 | 0 | 44 | 219.21 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.