In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 16 | 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) | 2.42 | 5.12 | -6.67 | 1 | 2 | 0 | 33 | 213.28 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 5.56 | -36.28 | 2 | 2 | 1 | 34 | 214.288 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.