In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 17 | Yes |
Popular Name: (1S)-1-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[(1-me…
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) | 2.49 | 7.32 | -47.25 | 2 | 3 | 1 | 34 | 250.753 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 6.03 | -6.28 | 1 | 3 | 0 | 30 | 249.745 | 4 | ↓ |