In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-3-methyl-N,N-bis(2-thienylmethyl)butanamide (2S)-2-amino-3-methyl-N,N-bis(2-…
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) | 2.24 | 6.64 | -44.52 | 3 | 3 | 1 | 48 | 309.48 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 6.79 | -8.42 | 2 | 3 | 0 | 46 | 308.472 | 6 | ↓ |