UCSF

ZINC04430350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 18 No

Download: MOL2 SDF SMILES Flexibase

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) 1.69 7.35 -9.06 1 5 0 79 240.218 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0679641A1; EP0929552A1; US5834462; US5846969; US5854274; WO1998015554A1 IBM Patent Data

Activity (Go SEA)

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