In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 27 | 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) | 1.42 | 7.76 | -14.51 | 0 | 8 | 0 | 98 | 367.409 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 8.16 | -54.41 | 1 | 8 | 1 | 99 | 368.417 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.