In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 34 | 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) | 6.29 | 12.21 | -19.5 | 2 | 6 | 0 | 88 | 504.662 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.29 | 12.46 | -15.89 | 2 | 6 | 0 | 88 | 504.662 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.74 | 10.96 | -47.98 | 1 | 6 | -1 | 91 | 503.654 | 6 | ↓ |