In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 21 | Yes |
Popular Name: 2-[(1S)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-5-methoxy-phenol 2-[(1S)-1-[[(1R)-1-(3-chlorophen…
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) | 4.64 | 6.67 | -43.92 | 3 | 3 | 1 | 46 | 306.813 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.64 | 7.46 | -49.81 | 2 | 3 | 0 | 49 | 305.805 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.64 | 5.91 | -7.95 | 2 | 3 | 0 | 41 | 305.805 | 5 | ↓ |