UCSF

ZINC04082342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 29 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) 2.32 -0.72 -14.68 2 6 0 100 404.503 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0186948A1; US4017615; US4305936; US4613463 IBM Patent Data

Activity (Go SEA)

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