In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 23 | Yes |
Popular Name: (2S,4R)-4-amino-1-(azepan-1-ylsulfonyl)-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(azepan-1-ylsu…
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) | 0.22 | 3.49 | -69.5 | 3 | 7 | 1 | 89 | 347.505 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 2.87 | -19.84 | 2 | 7 | 0 | 87 | 346.497 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.