In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 14 | 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) | 2.17 | 7.73 | -106.17 | 3 | 2 | 2 | 21 | 200.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 6.21 | -33.4 | 2 | 2 | 1 | 20 | 199.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 7.18 | -26.95 | 2 | 2 | 1 | 16 | 199.362 | 5 | ↓ |