In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 30 | 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 | -3.05 | -54.45 | 1 | 7 | 1 | 70 | 429.566 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | -3.01 | -85.99 | 2 | 7 | 2 | 71 | 430.574 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.