In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 31 | 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) | 1.20 | 4.59 | -49.26 | 3 | 7 | 1 | 78 | 494.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 7.02 | -102.79 | 4 | 7 | 2 | 80 | 495.462 | 4 | ↓ |