In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 29 | Yes |
Popular Name: [1-[(6-chloro-2H-chromen-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidyl]methanol [1-[(6-chloro-2H-chromen-3-yl)me…
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) | 4.77 | 10.11 | -47.2 | 2 | 4 | 1 | 43 | 414.953 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.77 | 7.94 | -7.88 | 1 | 4 | 0 | 42 | 413.945 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.