In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 41 | 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) | 0.59 | 4.08 | -106.54 | 5 | 14 | -2 | 231 | 611.561 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 4.99 | -172.15 | 4 | 14 | -3 | 233 | 610.553 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 4.99 | -167.32 | 4 | 14 | -3 | 233 | 610.553 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.