In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 21 | 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) | 3.95 | 7.31 | -6.86 | 1 | 3 | 0 | 36 | 322.861 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.95 | 7.64 | -27.59 | 2 | 3 | 1 | 38 | 323.869 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.