In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2009 | 32 | 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) | 2.19 | 6.2 | -70.34 | 4 | 8 | 1 | 109 | 461.608 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 3.75 | -23.1 | 3 | 8 | 0 | 108 | 460.6 | 10 | ↓ |