In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 35 | 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) | 5.90 | 14.6 | -93.37 | 2 | 4 | 2 | 15 | 519.605 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.90 | 10.59 | -3.3 | 0 | 4 | 0 | 13 | 517.589 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.90 | 12.77 | -38.12 | 1 | 4 | 1 | 14 | 518.597 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.90 | 14.94 | -112.73 | 2 | 4 | 2 | 15 | 519.605 | 8 | ↓ |