In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 24 | No |
Popular Name: 2-guanidino-N-(4-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide 2-guanidino-N-(4-nitro-1,3-benzo…
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) | 2.39 | 6.07 | -16.53 | 5 | 10 | 0 | 165 | 363.384 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 3.9 | -63.62 | 5 | 10 | 0 | 171 | 363.384 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 4.16 | -53.58 | 4 | 10 | -1 | 169 | 362.376 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 5.67 | -52.05 | 6 | 10 | 1 | 164 | 364.392 | 5 | ↓ |