In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2010 | 19 | Yes |
Popular Name: (1S)-1-[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]ethanamine (1S)-1-[3,5-dimethyl-1-(3-phenyl…
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) | 0.94 | 7.36 | -47.53 | 3 | 3 | 1 | 45 | 258.389 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 7.07 | -8.34 | 2 | 3 | 0 | 44 | 257.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.