In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 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) | 2.99 | 10.61 | -12.77 | 2 | 8 | 0 | 110 | 492.388 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 8.82 | -50.43 | 1 | 8 | -1 | 113 | 491.38 | 7 | ↓ |