In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 20 | No |
None
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) | 3.53 | 9.2 | -16.14 | 1 | 6 | 0 | 87 | 266.26 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 8.32 | -58.36 | 0 | 6 | -1 | 86 | 265.252 | 3 | ↓ |