In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 23 | 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) | 4.64 | 10.77 | -34.27 | 1 | 2 | 1 | 8 | 315.525 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.64 | 8.54 | -1.68 | 0 | 2 | 0 | 6 | 314.517 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 10.92 | -34.89 | 1 | 2 | 1 | 8 | 315.525 | 4 | ↓ |