In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 29 | No |
Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-5-(2-furyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(2,4-dimethoxybenzoyl)-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) | 1.71 | 7.58 | -79.32 | 1 | 8 | 0 | 96 | 400.431 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 5.04 | -63.7 | 0 | 8 | -1 | 95 | 399.423 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 7.42 | -64.89 | 1 | 8 | 1 | 90 | 401.439 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 6.21 | -61.26 | 2 | 8 | 1 | 94 | 401.439 | 7 | ↓ |