In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2007 | 35 | 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) | 4.11 | 7.07 | -15.74 | 3 | 8 | 0 | 108 | 479.577 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 7.86 | -48.39 | 2 | 8 | -1 | 111 | 478.569 | 10 | ↓ |