In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 30 | Yes |
Popular Name: 4-cyano-N-(4-isopropylbenzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide 4-cyano-N-(4-isopropylbenzothiaz…
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) | 4.54 | 2.08 | -19.19 | 0 | 5 | 0 | 69 | 412.518 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.54 | 2.19 | -55.47 | 1 | 5 | 1 | 71 | 413.526 | 5 | ↓ |