In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 16 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-butyl-N-ethyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N-but…
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) | 3.38 | 5.18 | -51.26 | 3 | 2 | 1 | 31 | 306.293 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 7.26 | -127.84 | 4 | 2 | 2 | 32 | 307.301 | 7 | ↓ |