In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | 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) | 2.64 | 5.55 | -42.11 | 3 | 4 | 1 | 49 | 290.431 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 4.21 | -8.3 | 2 | 4 | 0 | 44 | 289.423 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 6.43 | -34.91 | 3 | 4 | 1 | 46 | 290.431 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 7.77 | -116.31 | 4 | 4 | 2 | 50 | 291.439 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.