In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 18 | Yes |
Popular Name: YA-6961 YA-6961
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) | 2.65 | 6.58 | -46.37 | 0 | 4 | -1 | 62 | 242.254 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 7.03 | -43.59 | 1 | 4 | 0 | 63 | 243.262 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.