In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 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) | 3.01 | 9.1 | -14.22 | 1 | 6 | 0 | 63 | 407.44 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.01 | 9.19 | -27.03 | 2 | 6 | 1 | 64 | 408.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.