In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 17 | Yes |
Popular Name: N-[(2-chlorophenyl)methyl]-1-(3,5-dimethyl-1H-pyrazol-4-yl)methanamine N-[(2-chlorophenyl)methyl]-1-(3,…
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) | 2.28 | 6.2 | -42.12 | 3 | 3 | 1 | 45 | 250.753 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 4.81 | -7.1 | 2 | 3 | 0 | 41 | 249.745 | 4 | ↓ |