In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 33 | 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) | 4.75 | 13.17 | -66.82 | 1 | 6 | 0 | 74 | 515.448 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.75 | 10.63 | -53.68 | 0 | 6 | -1 | 73 | 514.44 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.19 | 11.58 | -56.54 | 2 | 6 | 1 | 71 | 516.456 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 13.01 | -54.3 | 1 | 6 | 1 | 68 | 516.456 | 9 | ↓ |