In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 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) | 2.17 | 7.62 | -78.13 | 2 | 8 | 0 | 107 | 439.512 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 8.64 | -135.3 | 1 | 8 | -1 | 110 | 438.504 | 10 | ↓ |