In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 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) | 4.95 | 12.9 | -12.07 | 0 | 5 | 0 | 63 | 414.436 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 13.33 | -33.29 | 1 | 5 | 1 | 65 | 415.444 | 2 | ↓ |