UCSF

ZINC04773670

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 27 No

CAS Number: 514-73-8

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) 3.04 1.81 -21.82 0 2 1 8 391.585 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4077802; US4232552; US4308329 IBM Patent Data

Activity (Go SEA)

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