In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 43 | No |
Popular Name: BRD-A84867566-001-02-0 BRD-A84867566-001-02-0
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) | -0.01 | -9.5 | -24.95 | 9 | 15 | 0 | 245 | 612.581 | 10 | ↓ |
Hi High (pH 8-9.5) | -0.01 | -8.78 | -53.7 | 8 | 15 | -1 | 248 | 611.573 | 10 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Therapy | sweetener | SMDC MicroSource |
No pre-computed analogs available. Try a structural similarity search.