In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | 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) | 3.73 | 8.76 | -53.8 | 3 | 4 | 1 | 62 | 332.493 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.19 | 7.7 | -42.06 | 2 | 4 | 0 | 65 | 331.485 | 3 | ↓ |