In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2009 | 34 | 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) | 0.95 | 0.62 | -56.22 | 9 | 8 | 1 | 152 | 471.622 | 11 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 0.4 | -24.93 | 8 | 8 | 0 | 151 | 470.614 | 11 | ↓ |