In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (3S)-3-amino-N-[(4-bromo-2-thienyl)methyl]-N-methyl-3-phenyl-propanamide (3S)-3-amino-N-[(4-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) | 1.08 | 7.43 | -41.72 | 3 | 3 | 1 | 48 | 354.293 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.08 | 7.07 | -8.7 | 2 | 3 | 0 | 46 | 353.285 | 5 | ↓ |