In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 18 | No |
Popular Name: 1-[2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]acetyl]pyrrolidin-2-one 1-[2-[4-(1-amino-1-methyl-ethyl)…
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) | -0.64 | 1.35 | -56.08 | 3 | 7 | 1 | 96 | 252.298 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.64 | 1.09 | -15 | 2 | 7 | 0 | 94 | 251.29 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.