In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 17 | Yes |
Popular Name: 1-[2-(aminomethyl)-3-furyl]-N-[(5-bromo-3-thienyl)methyl]-N-methyl-methanamine 1-[2-(aminomethyl)-3-furyl]-N-[(…
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) | 2.03 | 6.02 | -123.27 | 4 | 3 | 2 | 45 | 317.252 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 4.18 | -47.28 | 3 | 3 | 1 | 44 | 316.244 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.