In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 0.82 | 4.77 | -53.88 | 3 | 9 | 1 | 101 | 494.616 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 7.2 | -107.93 | 4 | 9 | 2 | 102 | 495.624 | 6 | ↓ |