UCSF

ZINC01677331

Physical Representations

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) -3.04 -2.29 -54.28 3 5 -1 107 146.122 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0418863A2; EP0418863B1; US5095009; US5326756; US5500419; US5538958 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.