In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | No |
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) | 4.45 | 8.33 | -10.17 | 2 | 3 | 0 | 44 | 311.435 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 8.79 | -31.22 | 3 | 3 | 1 | 45 | 312.443 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.