In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2005 | 24 | 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) | 2.32 | 6.8 | -16.35 | 2 | 5 | 0 | 75 | 343.452 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 4.93 | -54.37 | 1 | 5 | -1 | 78 | 342.444 | 4 | ↓ |