In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | No |
Popular Name: (2S)-2-amino-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-4-methylsulfonyl-butanamide (2S)-2-amino-N-[(5-bromo-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) | 0.80 | 2.71 | -63.93 | 3 | 5 | 1 | 82 | 384.341 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 2.37 | -18.89 | 2 | 5 | 0 | 80 | 383.333 | 7 | ↓ |