In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 19 | 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) | 0.81 | 5.3 | -31.07 | 3 | 5 | 1 | 60 | 260.365 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 4.88 | -10.75 | 2 | 5 | 0 | 59 | 259.357 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 4.91 | -11.03 | 2 | 5 | 0 | 59 | 259.357 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 5.33 | -31.11 | 3 | 5 | 1 | 60 | 260.365 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 6.66 | -100.62 | 4 | 5 | 2 | 64 | 261.373 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.81 | 6.7 | -100.06 | 4 | 5 | 2 | 64 | 261.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.