In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 36 | 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) | 4.13 | 9.67 | -12.78 | 1 | 7 | 0 | 71 | 506.002 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 11.88 | -59.61 | 2 | 7 | 1 | 72 | 507.01 | 7 | ↓ |