In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 22 | 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) | 2.01 | 8.66 | -267.1 | 8 | 4 | 4 | 66 | 318.594 | 19 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 5.97 | -82.03 | 6 | 4 | 2 | 57 | 316.578 | 19 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 5.76 | -88.92 | 6 | 4 | 2 | 57 | 316.578 | 19 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 7.19 | -166.24 | 7 | 4 | 3 | 62 | 317.586 | 19 | ↓ |