In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 17 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-cyclohexyl-N-methyl-ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-cyc…
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) | 3.27 | 4.93 | -47.12 | 3 | 2 | 1 | 31 | 318.304 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.27 | 7.05 | -132.09 | 4 | 2 | 2 | 32 | 319.312 | 4 | ↓ |