In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 20 | Yes |
Popular Name: [3-methyl-4-(4-phenylpyrazol-1-yl)phenyl]methanamine [3-methyl-4-(4-phenylpyrazol-1-y…
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) | 3.16 | 8.21 | -53.11 | 3 | 3 | 1 | 45 | 264.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 7.81 | -6.75 | 2 | 3 | 0 | 44 | 263.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.