In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 25 | Yes |
None
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) | 3.31 | 7.78 | -12.15 | 1 | 5 | 0 | 66 | 373.503 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 8.53 | -42.85 | 0 | 5 | -1 | 69 | 372.495 | 5 | ↓ |