In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 15 | Yes |
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) | 1.36 | 5.36 | -47.94 | 3 | 3 | 1 | 45 | 204.297 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 5.59 | -101.79 | 4 | 3 | 2 | 47 | 205.305 | 3 | ↓ |