In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 20 | No |
Popular Name: (2S)-1-phenoxy-N-[[(3R)-3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl]methyl]propan-2-amine (2S)-1-phenoxy-N-[[(3R)-3,4,5,6-…
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) | 3.07 | 5.69 | -40.77 | 2 | 4 | 1 | 51 | 272.372 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.07 | 4.47 | -7.39 | 1 | 4 | 0 | 46 | 271.364 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.