In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 32 | Yes |
None
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) | 3.87 | 15.04 | -173.54 | 3 | 4 | 3 | 17 | 435.68 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 10.52 | -37.41 | 1 | 4 | 1 | 14 | 433.664 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 12.77 | -83.19 | 2 | 4 | 2 | 15 | 434.672 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 12.93 | -88.58 | 2 | 4 | 2 | 15 | 434.672 | 6 | ↓ |