In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 37 | 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) | 2.40 | 8.82 | -59.43 | 0 | 9 | -1 | 106 | 500.531 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 11.16 | -73.99 | 1 | 9 | 0 | 108 | 501.539 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 10.06 | -53.69 | 2 | 9 | 1 | 105 | 502.547 | 6 | ↓ |