In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 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) | 4.59 | 8.96 | -33.43 | 2 | 2 | 1 | 16 | 255.47 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 8.35 | -35.58 | 2 | 2 | 1 | 20 | 255.47 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 10.14 | -104.2 | 3 | 2 | 2 | 21 | 256.478 | 9 | ↓ |