In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | 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) | 2.91 | 8.51 | -19.58 | 2 | 7 | 0 | 91 | 428.558 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 7.34 | -52.35 | 1 | 7 | -1 | 98 | 427.55 | 10 | ↓ |