In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2010 | 20 | Yes |
Popular Name: (1R)-1-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]ethanamine (1R)-1-phenyl-2-[(3R)-3-phenylpy…
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) | 1.66 | 9.04 | -36.18 | 3 | 2 | 1 | 30 | 267.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.66 | 6.91 | -2.78 | 2 | 2 | 0 | 29 | 266.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.66 | 7.32 | -41.99 | 3 | 2 | 1 | 31 | 267.396 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 9.45 | -136.32 | 4 | 2 | 2 | 32 | 268.404 | 4 | ↓ |