In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 30 | No |
Popular Name: 2-[(2Z,5S)-4-keto-2-phenethylimino-thiazolidin-5-yl]-N-(2-methoxy-5-nitro-phenyl)acetamide 2-[(2Z,5S)-4-keto-2-phenethylimi…
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) | 2.52 | 7.3 | -15.88 | 2 | 9 | 0 | 126 | 428.47 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 6.24 | -50.56 | 1 | 9 | -1 | 128 | 427.462 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.