In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2011 | 27 | 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) | 2.81 | 6.97 | -47.34 | 3 | 6 | 1 | 72 | 370.473 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 4.91 | -10.47 | 2 | 6 | 0 | 71 | 369.465 | 8 | ↓ |