In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 20 | Yes |
Popular Name: (2S)-N-(4-amino-2,6-dichloro-phenyl)-2-(2-cyanoethyl-methyl-amino)propanamide (2S)-N-(4-amino-2,6-dichloro-phe…
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) | 1.22 | 5.79 | -49.7 | 4 | 5 | 1 | 83 | 316.212 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 3.55 | -13.95 | 3 | 5 | 0 | 82 | 315.204 | 5 | ↓ |