In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 32 | 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) | 2.83 | -5.31 | -17.6 | 1 | 9 | 0 | 106 | 479.628 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.83 | -4.73 | -41.04 | 0 | 9 | -1 | 108 | 478.62 | 7 | ↓ |