In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 16 | 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) | 0.98 | 2.51 | -48.61 | 4 | 3 | 1 | 49 | 262.16 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 3.45 | -134.81 | 5 | 3 | 2 | 53 | 263.168 | 3 | ↓ |