UCSF

ZINC38433618

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 8 No

Other Names:

MFCD06659762

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) -0.51 -1.36 -6.81 1 4 0 55 115.088 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0116518A1; US4664695 IBM Patent Data

Activity (Go SEA)

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