In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 29 | 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) | 2.23 | 7.48 | -41.77 | 4 | 7 | 1 | 87 | 399.425 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 7.02 | -17.28 | 3 | 7 | 0 | 85 | 398.417 | 6 | ↓ |