In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 13 | 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) | 0.41 | -0.09 | -35.03 | 4 | 4 | 1 | 64 | 186.279 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.50 | 0.07 | -6.21 | 4 | 4 | 0 | 64 | 185.271 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.41 | 2.18 | -105.32 | 5 | 4 | 2 | 65 | 187.287 | 4 | ↓ |