In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 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 | -0.43 | -35.3 | 4 | 4 | 1 | 64 | 186.279 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.50 | -0.27 | -6.2 | 4 | 4 | 0 | 64 | 185.271 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.41 | 1.74 | -103.03 | 5 | 4 | 2 | 65 | 187.287 | 4 | ↓ |