In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 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) | 3.17 | 5.52 | -28.94 | 2 | 3 | 1 | 28 | 289.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 6.34 | -34.92 | 2 | 3 | 1 | 28 | 289.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 3.99 | -3.37 | 1 | 3 | 0 | 27 | 288.435 | 4 | ↓ |