In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 39 | No |
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) | -0.38 | 3.6 | -78.62 | 5 | 13 | -1 | 202 | 569.601 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.38 | 4.6 | -127.42 | 4 | 13 | -2 | 204 | 568.593 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.