In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 22 | 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) | 3.37 | 5.4 | -3.64 | 0 | 4 | 0 | 25 | 312.498 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 7.42 | -35.54 | 1 | 4 | 1 | 26 | 313.506 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 7.66 | -35.92 | 1 | 4 | 1 | 26 | 313.506 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 9.68 | -77.61 | 2 | 4 | 2 | 27 | 314.514 | 10 | ↓ |