In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 38 | 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) | 3.11 | 7.99 | -60.42 | 0 | 9 | -1 | 101 | 523.606 | 12 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 10.6 | -52.49 | 1 | 9 | 1 | 96 | 525.622 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 10.31 | -54.63 | 2 | 9 | 1 | 99 | 525.622 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 10.32 | -81.44 | 1 | 9 | 0 | 102 | 524.614 | 12 | ↓ |