In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 34 | Yes |
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) | 3.36 | 9.28 | -75.28 | 4 | 7 | 2 | 93 | 477.996 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 11.27 | -154.2 | 5 | 7 | 3 | 95 | 479.004 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 8.82 | -35.25 | 3 | 7 | 1 | 92 | 476.988 | 6 | ↓ |