In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 15 | Yes |
None
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) | -0.10 | 3.3 | -36.1 | 2 | 4 | 1 | 37 | 212.317 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.10 | 1.1 | -8.09 | 1 | 4 | 0 | 36 | 211.309 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.10 | 4.67 | -97.85 | 3 | 4 | 2 | 41 | 213.325 | 2 | ↓ |