In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2007 | 37 | 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) | 3.31 | 9.51 | -44.31 | 0 | 9 | -1 | 114 | 514.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.76 | 8.11 | -30.2 | 1 | 9 | 0 | 111 | 515.547 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.02 | 2.37 | -11.2 | 0 | 7 | 0 | 60 | 334.42 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.02 | 4.6 | -47.78 | 1 | 7 | 1 | 61 | 335.428 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 8.4 | -61.17 | 2 | 9 | 1 | 112 | 516.555 | 5 | ↓ |