In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 19 | 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) | 0.82 | 3.84 | -55.26 | 4 | 7 | 1 | 115 | 268.293 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 2.47 | -12.16 | 3 | 7 | 0 | 110 | 267.285 | 8 | ↓ |