In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 31 | 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) | 3.85 | 11.21 | -30.82 | 1 | 7 | 0 | 84 | 436.537 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 10.14 | -62.93 | 0 | 7 | -1 | 91 | 435.529 | 7 | ↓ |