In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 27 | Yes |
Popular Name: N,N-bis(2-cyanoethyl)-2-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide N,N-bis(2-cyanoethyl)-2-[(1S)-1-…
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) | 0.87 | 10.64 | -19.16 | 0 | 6 | 0 | 76 | 361.449 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 12.37 | -58.09 | 1 | 6 | 1 | 77 | 362.457 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.