In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 32 | 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) | 0.70 | 2.22 | -55.63 | 2 | 10 | 1 | 121 | 483.592 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.70 | -0.25 | -23.65 | 1 | 10 | 0 | 120 | 482.584 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 2.08 | -53.18 | 2 | 10 | 1 | 121 | 483.592 | 7 | ↓ |