In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 4th, 2011 | 19 | No |
Popular Name: 2-[propyl-[(5-pyrrolidin-1-yl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]amino]acetonitrile 2-[propyl-[(5-pyrrolidin-1-yl-2-…
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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) | 1.70 | 6.87 | -13.04 | 0 | 5 | 0 | 48 | 297.453 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.