In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 27 | 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) | 3.67 | 4.73 | -10.93 | 2 | 6 | 0 | 62 | 384.505 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 7.02 | -96.04 | 4 | 6 | 2 | 68 | 386.521 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 6.65 | -51.71 | 3 | 6 | 1 | 67 | 385.513 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.