In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 20 | 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) | 4.21 | 9.95 | -33.26 | 3 | 2 | 1 | 30 | 334.281 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.21 | 7.6 | -3.16 | 2 | 2 | 0 | 29 | 333.273 | 6 | ↓ |