In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 29 | Yes |
Popular Name: [cyclohexyl-[(2R)-2-hydroxy-3-isopropoxy-propyl]amino]methylBLAHone [cyclohexyl-[(2R)-2-hydroxy-3-is…
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) | 3.29 | 8.59 | -53.84 | 3 | 6 | 1 | 80 | 420.599 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 6.06 | -53.01 | 2 | 6 | 0 | 83 | 419.591 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 6.57 | -15.03 | 2 | 6 | 0 | 78 | 419.591 | 8 | ↓ |