In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 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) | 1.99 | 5.66 | -34.74 | 1 | 4 | 1 | 20 | 296.479 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 3.98 | -2.34 | 0 | 4 | 0 | 19 | 295.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 7.42 | -80.62 | 2 | 4 | 2 | 21 | 297.487 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 5.69 | -33.41 | 1 | 4 | 1 | 20 | 296.479 | 4 | ↓ |