In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 34 | Yes |
Popular Name: (R)-[4-[4-[4-[(R)-amino(phenyl)methyl]phenoxy]butoxy]phenyl]-phenyl-methanamine (R)-[4-[4-[4-[(R)-amino(phenyl)m…
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) | 6.14 | 12.42 | -101.1 | 6 | 4 | 2 | 74 | 454.614 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.14 | 12.09 | -51.33 | 5 | 4 | 1 | 72 | 453.606 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.14 | 11.76 | -8.36 | 4 | 4 | 0 | 71 | 452.598 | 11 | ↓ |