In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 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) | 2.88 | 6.55 | -54.47 | 2 | 8 | 1 | 105 | 492.643 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 4.46 | -20.28 | 1 | 8 | 0 | 104 | 491.635 | 7 | ↓ |