In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2006 | 41 | 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) | 6.60 | 2.16 | -14.12 | 0 | 8 | 0 | 92 | 563.691 | 13 | ↓ |
Mid Mid (pH 6-8) | 6.60 | 1.98 | -17.88 | 0 | 8 | 0 | 92 | 563.691 | 13 | ↓ |
Mid Mid (pH 6-8) | 6.78 | 1.06 | -15.72 | 0 | 8 | 0 | 92 | 563.691 | 13 | ↓ |