In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 16 | Yes |
Popular Name: 1-propanamine, N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]- 1-propanamine, N-[2-(4-chloro-3,…
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) | 3.74 | 7.34 | -40.49 | 2 | 2 | 1 | 26 | 242.77 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 5.96 | -3.62 | 1 | 2 | 0 | 21 | 241.762 | 6 | ↓ |