In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2010 | 28 | 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) | 4.18 | 10.14 | -10.81 | 1 | 5 | 0 | 71 | 388.496 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.18 | 10.1 | -30.03 | 2 | 5 | 1 | 73 | 389.504 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.