In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 21 | Yes |
Popular Name: 6-[(S)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-5,6-dihydro-4H-cyclopenta…
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) | 3.05 | 6.63 | -51.5 | 3 | 4 | 1 | 63 | 301.391 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 2.82 | -46.73 | 1 | 4 | -1 | 61 | 299.375 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 4 | -70.39 | 2 | 4 | 0 | 66 | 300.383 | 3 | ↓ |