In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 19 | Yes |
Popular Name: 3-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1R)-1-(2-hydroxyphenyl)ethy…
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) | 2.02 | 4.79 | -47.45 | 3 | 4 | 1 | 57 | 263.361 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 5.58 | -56.79 | 2 | 4 | 0 | 60 | 262.353 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 3.63 | -12.92 | 2 | 4 | 0 | 53 | 262.353 | 5 | ↓ |