In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 16 | Yes |
Popular Name: (2S)-2-amino-4-methyl-N-[(1R)-1-(2-thienyl)ethyl]pentanamide (2S)-2-amino-4-methyl-N-[(1R)-1-…
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) | 1.79 | 3.63 | -41.94 | 4 | 3 | 1 | 57 | 241.38 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 3.33 | -6.08 | 3 | 3 | 0 | 55 | 240.372 | 5 | ↓ |