In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 18 | Yes |
Popular Name: 3-amino-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-thiophene-2-carboxamide 3-amino-N-[(5-chloro-2-thienyl)m…
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) | 3.16 | 5.85 | -7.22 | 2 | 3 | 0 | 46 | 300.836 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 5.78 | -35.37 | 3 | 3 | 1 | 48 | 301.844 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.