In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 39 | No |
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) | 4.99 | 11.61 | -64.61 | 0 | 8 | -1 | 97 | 536.645 | 13 | ↓ |
Mid Mid (pH 6-8) | 5.43 | 10.53 | -31.44 | 1 | 8 | 0 | 95 | 537.653 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.40 | 11.53 | -26.73 | 0 | 8 | 0 | 91 | 537.653 | 13 | ↓ |