In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2009 | 27 | 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) | 1.70 | 4.54 | -20.94 | 2 | 8 | 0 | 106 | 383.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 2.89 | -49.79 | 1 | 8 | -1 | 112 | 382.425 | 6 | ↓ |