In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 19 | 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) | 0.99 | 4.38 | -114.63 | 4 | 4 | 2 | 45 | 265.401 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 3.98 | -32.51 | 3 | 4 | 1 | 43 | 264.393 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 2.31 | -44.48 | 3 | 4 | 1 | 43 | 264.393 | 6 | ↓ |