In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 40 | No |
Popular Name: Geldanamycin Geldanamycin
None
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) | 1.52 | 4.28 | -48.51 | 3 | 11 | -1 | 170 | 559.636 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.88 | 5.73 | -18.35 | 3 | 11 | 0 | 164 | 560.644 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 6.34e-03 g/l | DrugBank-experimental |
PUBCHEM_PATENT_ID | EP0626453B1; EP0626454B1; EP0627491A1; EP0627491B1; EP0632132A1; EP0632132B1; EP0693073A1; EP0693073B1; EP0706516A1; EP0748247A1; EP0765400B1; EP0828418A1; EP0889042A1; EP0919244A2; EP0921821A1; EP0929681A1; EP0989136A1; EP1002870A1; EP1023315A1; EP102707 | IBM Patent Data |