In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 24 | Yes |
Popular Name: 3-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methylamino]methyl]phenol 3-[[(1-phenyl-5,6-dihydro-4H-cyc…
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) | 3.01 | 8.32 | -45.8 | 3 | 4 | 1 | 55 | 320.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 6.95 | -11.52 | 2 | 4 | 0 | 50 | 319.408 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.