In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 30 | 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) | 4.92 | 11.68 | -35.85 | 1 | 4 | 1 | 26 | 407.578 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.92 | 9.06 | -5.19 | 0 | 4 | 0 | 25 | 406.57 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.92 | 11.65 | -40.75 | 1 | 4 | 1 | 26 | 407.578 | 9 | ↓ |