In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 28 | No |
Popular Name: (5Z)-2-(3-chloro-2-methyl-anilino)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylene]thiazol-4-one (5Z)-2-(3-chloro-2-methyl-anilin…
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) | 6.85 | 12.34 | -8.22 | 1 | 4 | 0 | 50 | 428.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 7.30 | 10.3 | -48.53 | 0 | 4 | -1 | 53 | 427.336 | 3 | ↓ |
Hi High (pH 8-9.5) | 7.30 | 10.77 | -46.41 | 0 | 4 | -1 | 53 | 427.336 | 3 | ↓ |