In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2R)-2-amino-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-cyclopropyl-propan-1-one (2R)-2-amino-1-[4-[(5-chloro-2-t…
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) | 2.37 | 4.43 | -45.06 | 3 | 4 | 1 | 51 | 328.889 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.37 | 6.66 | -111.96 | 4 | 4 | 2 | 52 | 329.897 | 4 | ↓ |