In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 16 | Yes |
Popular Name: N-[(S)-(5-chloro-2-thienyl)-(2-thienyl)methyl]ethane-1,2-diamine N-[(S)-(5-chloro-2-thienyl)-(2-t…
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) | 2.68 | 3.82 | -45.27 | 4 | 2 | 1 | 40 | 273.834 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 3.44 | -3.72 | 3 | 2 | 0 | 38 | 272.826 | 5 | ↓ |