In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 31 | Yes |
Popular Name: [cyclohexyl-[(2R)-2-hydroxy-3-phenyl-propyl]amino]methylBLAHone [cyclohexyl-[(2R)-2-hydroxy-3-ph…
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) | 4.38 | 11.1 | -57.57 | 3 | 5 | 1 | 70 | 438.617 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.83 | 8.55 | -54.56 | 2 | 5 | 0 | 74 | 437.609 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 9.29 | -12.44 | 2 | 5 | 0 | 69 | 437.609 | 7 | ↓ |