In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 33 | 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) | 4.18 | 10.19 | -52.44 | 1 | 8 | -1 | 83 | 475.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 10.12 | -16.61 | 2 | 8 | 0 | 86 | 476.484 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.36 | 10.65 | -52.26 | 2 | 8 | 0 | 88 | 476.484 | 6 | ↓ |