In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 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) | 2.58 | 7.06 | -60.49 | 0 | 7 | -1 | 82 | 435.5 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 8.8 | -45.59 | 2 | 7 | 1 | 81 | 437.516 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.00 | 9.33 | -47.81 | 1 | 7 | 1 | 77 | 437.516 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 9.39 | -79.55 | 1 | 7 | 0 | 83 | 436.508 | 8 | ↓ |