In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 21 | Yes |
Popular Name: (2S)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-isopropyl-2-methyl-4-oxo-butanoic (2S)-4-(2,3-dihydro-1,4-benzothi…
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) | 2.19 | 9.69 | -59.15 | 0 | 4 | -1 | 60 | 306.407 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 7.8 | -13.55 | 1 | 4 | 0 | 58 | 307.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.