In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | 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) | 0.25 | 0.97 | -38.22 | 3 | 5 | 1 | 58 | 256.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.25 | -0.41 | -8.21 | 2 | 5 | 0 | 54 | 255.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.25 | 3.25 | -89.28 | 4 | 5 | 2 | 59 | 257.378 | 5 | ↓ |