UCSF

ZINC04062723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 No

Other Names:

MFCD00753219

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) 5.39 1.17 -10.08 0 6 0 74 427.541 10
Mid Mid (pH 6-8) 5.57 0.08 -11.22 0 6 0 74 427.541 10
Mid Mid (pH 6-8) 5.39 0.99 -14.01 0 6 0 74 427.541 10

Activity (Go SEA)

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