In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 26 | No |
Popular Name: N-[2,5-bis(aziridin-1-yl)-4-(butanoylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]butanamide N-[2,5-bis(aziridin-1-yl)-4-(but…
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) | 2.06 | 4.68 | -33.9 | 3 | 8 | 1 | 103 | 361.422 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 6.34 | -25.95 | 2 | 8 | 0 | 98 | 360.414 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.