In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 33 | 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) | 3.95 | 10.86 | -21.68 | 1 | 9 | 0 | 104 | 480.575 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.13 | 9.66 | -54.15 | 0 | 9 | -1 | 110 | 479.567 | 7 | ↓ |