UCSF

ZINC04063703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 28 No

Other Names:

MFCD00771176

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.01 -0.2 -6.44 0 4 0 55 399.918 4
Mid Mid (pH 6-8) 6.01 -0.27 -10.65 0 4 0 55 399.918 4
Mid Mid (pH 6-8) 6.19 1.25 -12.35 0 4 0 55 399.918 4
Mid Mid (pH 6-8) 6.19 -0.14 -8.15 0 4 0 55 399.918 4

Activity (Go SEA)

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