In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2009 | 29 | 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) | 4.25 | 12.42 | -51.09 | 2 | 5 | 1 | 59 | 429.635 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.25 | 10.26 | -12.31 | 1 | 5 | 0 | 58 | 428.627 | 8 | ↓ |