In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 33 | No |
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) | 4.88 | 11.99 | -63.01 | 0 | 7 | -1 | 92 | 454.543 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.88 | 11.09 | -15.89 | 1 | 7 | 0 | 89 | 455.551 | 12 | ↓ |