In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 25 | 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) | 2.59 | 9.95 | -36.63 | 1 | 5 | 1 | 42 | 341.479 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 9.19 | -14.93 | 0 | 5 | 0 | 41 | 340.471 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.59 | 11.5 | -47.76 | 1 | 5 | 1 | 42 | 341.479 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.