In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 30 | 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) | 2.42 | 5.96 | -60.96 | 2 | 8 | 1 | 74 | 412.466 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 3.47 | -15.67 | 1 | 8 | 0 | 73 | 411.458 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 5.55 | -58.59 | 2 | 8 | 1 | 74 | 412.466 | 5 | ↓ |