In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 25 | Yes |
Popular Name: [cyclopropyl-[(2R)-3-ethoxy-2-hydroxy-propyl]amino]methylBLAHone [cyclopropyl-[(2R)-3-ethoxy-2-hy…
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) | 1.39 | 6.43 | -51.51 | 3 | 6 | 1 | 80 | 364.491 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 3.62 | -49.35 | 2 | 6 | 0 | 83 | 363.483 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 4.31 | -13.85 | 2 | 6 | 0 | 78 | 363.483 | 8 | ↓ |