In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 29 | 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) | 2.65 | 8.69 | -39.01 | 1 | 5 | 1 | 33 | 395.571 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 8.85 | -6.34 | 0 | 5 | 0 | 32 | 394.563 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 10.27 | -33.65 | 1 | 5 | 1 | 33 | 395.571 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 10.7 | -95.14 | 2 | 5 | 2 | 34 | 396.579 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.