UCSF

ZINC12437146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 23 Yes

Other Names:

MFCD00653093

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 7.92 -6.79 1 7 0 76 319.409 5
Mid Mid (pH 6-8) 2.32 8.41 -34.02 2 7 1 77 320.417 5

Activity (Go SEA)

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