In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 31 | 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) | 1.03 | 3.29 | -11.66 | 1 | 7 | 0 | 65 | 435.54 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 5.6 | -48.65 | 2 | 7 | 1 | 67 | 436.548 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 5.62 | -58.96 | 2 | 7 | 1 | 67 | 436.548 | 9 | ↓ |