In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 21 | Yes |
Popular Name: (1S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-naphthyl)ethanamine (1S)-N-[(3,5-dimethyl-1H-pyrazol…
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) | 3.37 | 8.54 | -46.41 | 3 | 3 | 1 | 45 | 280.395 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 7.55 | -7.63 | 2 | 3 | 0 | 41 | 279.387 | 4 | ↓ |