In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 26 | 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) | 1.70 | 10.47 | -19.89 | 1 | 7 | 0 | 86 | 386.506 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 8.92 | -51.35 | 0 | 7 | -1 | 92 | 385.498 | 6 | ↓ |