In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 20 | Yes |
Popular Name: N'-[bis(2-thienyl)methyl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[bis(2-thienyl)methyl]-N-(2-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) | 3.09 | 6.95 | -35.28 | 2 | 3 | 1 | 26 | 311.496 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 4.54 | -5.22 | 1 | 3 | 0 | 24 | 310.488 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.