In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 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) | 0.62 | 1.04 | -54.5 | 4 | 4 | 1 | 70 | 200.287 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.18 | -0.03 | -11.44 | 3 | 4 | 0 | 71 | 199.279 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | -0.05 | -43.98 | 3 | 4 | 0 | 76 | 199.279 | 3 | ↓ |