In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | Yes |
Popular Name: (1R)-1-phenyl-N-[(3-phenyl-1H-pyrazol-4-yl)methyl]ethanamine (1R)-1-phenyl-N-[(3-phenyl-1H-py…
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) | 3.44 | 8.73 | -42.51 | 3 | 3 | 1 | 45 | 278.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 8.56 | -4.81 | 2 | 3 | 0 | 41 | 277.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.