In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 18 | No |
Popular Name: 2-chloro-N'-hydroxy-6-(1,4-thiazepan-4-yl)benzamidine 2-chloro-N'-hydroxy-6-(1,4-thiaz…
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) | 1.59 | 4.58 | -6.36 | 3 | 4 | 0 | 62 | 285.8 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 4.67 | -31.81 | 4 | 4 | 1 | 63 | 286.808 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.