In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 29th, 2008 | 32 | 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) | 5.90 | 11.28 | -16.27 | 2 | 6 | 0 | 84 | 443.528 | 6 | ↓ |
Ref Reference (pH 7) | 5.90 | 11.7 | -16.16 | 2 | 6 | 0 | 84 | 443.528 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.41 | 11.21 | -55.22 | 1 | 6 | -1 | 82 | 442.52 | 7 | ↓ |