In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2006 | 27 | 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) | 1.04 | 5.61 | -17.7 | 2 | 8 | 0 | 101 | 404.521 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 5.92 | -17.32 | 2 | 8 | 0 | 101 | 404.521 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 6.74 | -40.57 | 3 | 8 | 1 | 103 | 405.529 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 2.92 | -22.4 | 2 | 8 | 0 | 105 | 404.521 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 4.23 | -42.93 | 3 | 8 | 1 | 106 | 405.529 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.11 | 4.54 | -42.53 | 3 | 8 | 1 | 106 | 405.529 | 6 | ↓ |