In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 25 | 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) | 4.41 | 9.84 | -34.75 | 1 | 5 | 0 | 58 | 376.551 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 7.97 | -49.15 | 0 | 5 | -1 | 56 | 375.543 | 4 | ↓ |