In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 36 | Yes |
Popular Name: (4-chlorophenyl)methyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-dioxo-BLAHcarboxamide (4-chlorophenyl)methyl-N-[[(2S)-…
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) | 4.66 | 12.04 | -70.2 | 2 | 6 | 1 | 71 | 523.078 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.66 | 9.67 | -32.27 | 1 | 6 | 0 | 70 | 522.07 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.