In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2011 | 19 | 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) | 2.35 | 7.91 | -56.03 | 0 | 5 | -1 | 71 | 252.253 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 8.12 | -46.7 | 1 | 5 | 0 | 72 | 253.261 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.