In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 27 | Yes |
Popular Name: 1-ethyl-3-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]pyrrolo[2,3-b]pyridine 1-ethyl-3-[2-[4-(2-thienylsulfon…
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) | 2.59 | 7.35 | -14.42 | 0 | 6 | 0 | 58 | 404.561 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 9.58 | -57.06 | 1 | 6 | 1 | 60 | 405.569 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.