In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 21 | Yes |
Popular Name: 2-[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[1-(2-dimethylaminoethyl)tetra…
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) | 0.70 | 6.66 | -45.06 | 2 | 7 | 1 | 81 | 309.419 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 4.19 | -9.33 | 1 | 7 | 0 | 80 | 308.411 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.