In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2007 | 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) | 3.38 | 9.1 | -76.11 | 2 | 7 | 0 | 94 | 452.551 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 9.15 | -46.16 | 3 | 7 | 1 | 92 | 453.559 | 9 | ↓ |