In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 30 | 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) | 2.36 | 11.95 | -64.92 | 2 | 6 | 0 | 88 | 409.53 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 11.58 | -54.84 | 1 | 6 | -1 | 87 | 408.522 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 12.22 | -70.68 | 3 | 6 | 1 | 90 | 410.538 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.