In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 19 | Yes |
Popular Name: 2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]sulfanylpyrimidine-4,6-diamine 2-[(1R)-2-amino-1-(4-fluoropheny…
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) | 1.47 | 2.53 | -52.58 | 7 | 5 | 1 | 105 | 280.352 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 2.17 | -8.62 | 6 | 5 | 0 | 104 | 279.344 | 4 | ↓ |