In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 26 | No |
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) | -0.59 | 0.34 | -85.05 | 3 | 8 | 0 | 118 | 383.47 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.59 | -0.75 | -94.47 | 2 | 8 | -1 | 113 | 382.462 | 5 | ↓ |