In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-N-(2-bromo-4-cyano-phenyl)-3-phenyl-propanamide (2S)-2-amino-N-(2-bromo-4-cyano-…
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) | 2.28 | 6.45 | -50.52 | 4 | 4 | 1 | 81 | 345.22 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 6.12 | -7.72 | 3 | 4 | 0 | 79 | 344.212 | 4 | ↓ |