In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2005 | 30 | No |
Popular Name: 4-methylbenzyl 2-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbimidothioate 4-methylbenzyl 2-(1-benzyl-2-oxo…
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) | 5.20 | 13.19 | -34.1 | 3 | 5 | 1 | 72 | 415.542 | 7 | ↓ |
Ref Reference (pH 7) | 5.20 | 13.33 | -30.6 | 3 | 5 | 1 | 72 | 415.542 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.07 | 12.89 | -18.76 | 2 | 5 | 0 | 73 | 414.534 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.07 | 13.1 | -34.96 | 3 | 5 | 1 | 74 | 415.542 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.07 | 13.24 | -30.52 | 3 | 5 | 1 | 74 | 415.542 | 6 | ↓ |