In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 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) | 2.97 | 7.3 | -36.54 | 1 | 4 | 1 | 26 | 293.431 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 4.99 | -5.8 | 0 | 4 | 0 | 25 | 292.423 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.97 | 7.3 | -39.91 | 1 | 4 | 1 | 26 | 293.431 | 8 | ↓ |