In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (1S)-N-ethyl-1-phenyl-N-(2-thienylmethyl)ethane-1,2-diamine (1S)-N-ethyl-1-phenyl-N-(2-thien…
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) | 2.40 | 6.02 | -51.52 | 3 | 2 | 1 | 31 | 261.414 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 7.2 | -119.53 | 4 | 2 | 2 | 32 | 262.422 | 6 | ↓ |