In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2011 | 25 | Yes |
Popular Name: (2S)-N-[[4-(diethylaminomethyl)thiazol-2-yl]methyl]-3-(2-fluorophenyl)-2-methyl-propanamide (2S)-N-[[4-(diethylaminomethyl)t…
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) | 2.94 | 9.23 | -39.16 | 2 | 4 | 1 | 46 | 364.51 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 7.08 | -8.38 | 1 | 4 | 0 | 45 | 363.502 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.