In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2011 | 23 | Yes |
None
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) | 1.12 | 8.32 | -66.33 | 3 | 6 | 1 | 64 | 309.397 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 7.13 | -11.86 | 2 | 6 | 0 | 60 | 308.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 8.48 | -112.26 | 4 | 6 | 2 | 66 | 310.405 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.12 | 8.99 | -159.03 | 5 | 6 | 3 | 67 | 311.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.