In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 35 | 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) | 3.03 | 11.29 | -16.55 | 0 | 10 | 0 | 111 | 495.561 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 11.69 | -43.93 | 1 | 10 | 1 | 112 | 496.569 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.