UCSF

ZINC22007521

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 24 No

Other Names:

MFCD08460146

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) 4.33 7.68 -16.17 1 5 0 73 326.348 8
Mid Mid (pH 6-8) 4.33 8.48 -54.42 0 5 -1 76 325.34 8

Activity (Go SEA)

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