In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 22 | 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) | 0.86 | 3.66 | -43.96 | 3 | 5 | 1 | 62 | 300.382 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 2.26 | -10.92 | 2 | 5 | 0 | 58 | 299.374 | 5 | ↓ |