In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2007 | 31 | 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) | 4.44 | 9.65 | -50.05 | 0 | 6 | -1 | 79 | 463.337 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.89 | 8.71 | -9.34 | 1 | 6 | 0 | 76 | 464.345 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 0.25 | -9.43 | 0 | 6 | 0 | 72 | 464.345 | 8 | ↓ |