In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 32 | 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) | 2.83 | 8.96 | -38.08 | 0 | 6 | -1 | 83 | 435.406 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 7.32 | -30.01 | 1 | 6 | 0 | 80 | 436.414 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 8.29 | -28.71 | 0 | 6 | 0 | 77 | 436.414 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 8.57 | -57.9 | 1 | 6 | 1 | 78 | 437.422 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 7.9 | -49.09 | 2 | 6 | 1 | 81 | 437.422 | 6 | ↓ |