In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 20 | 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) | 1.90 | 3.15 | -64.52 | 4 | 5 | 1 | 75 | 271.296 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 2.76 | -15.37 | 3 | 5 | 0 | 74 | 270.288 | 3 | ↓ |