In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 36 | 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) | 3.83 | 9.52 | -13.16 | 1 | 5 | 0 | 58 | 514.548 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.83 | 11.75 | -57.51 | 2 | 5 | 1 | 59 | 515.556 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.83 | 12.18 | -108.8 | 3 | 5 | 2 | 61 | 516.564 | 10 | ↓ |