In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 33 | 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) | 2.07 | 10.07 | -18.95 | 2 | 8 | 0 | 112 | 445.475 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 8.15 | -48.71 | 1 | 8 | -1 | 115 | 444.467 | 5 | ↓ |