In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2009 | 35 | 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) | -0.29 | -9.26 | -15.52 | 8 | 13 | 0 | 220 | 494.405 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.29 | -8.19 | -57.34 | 7 | 13 | -1 | 223 | 493.397 | 5 | ↓ |