In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | 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) | 2.12 | 8.78 | -34.16 | 2 | 4 | 1 | 34 | 293.479 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 6.45 | -40.6 | 2 | 4 | 1 | 38 | 293.479 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 8.47 | -111.56 | 3 | 4 | 2 | 39 | 294.487 | 7 | ↓ |