In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2005 | 19 | 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) | 3.54 | 10.38 | -33.64 | 1 | 3 | 1 | 31 | 262.373 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 7.8 | -6.2 | 0 | 3 | 0 | 30 | 261.365 | 7 | ↓ |