In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 15 | Yes |
Popular Name: (2S,3S)-3-(3,5-dimethylpyrazol-1-yl)-N-propyl-butan-2-amine (2S,3S)-3-(3,5-dimethylpyrazol-1…
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) | 2.19 | 6.42 | -40.82 | 2 | 3 | 1 | 34 | 210.345 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 6.56 | -91.01 | 3 | 3 | 2 | 36 | 211.353 | 5 | ↓ |