In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 30 | Yes |
Popular Name: 1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]pyrrolidine 1-[2-[4-[(Z)-1,2-diphenylbut-1-e…
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) | 6.47 | 16.88 | -34.76 | 1 | 2 | 1 | 14 | 398.57 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.47 | 14.32 | -5.11 | 0 | 2 | 0 | 12 | 397.562 | 8 | ↓ |