UCSF

ZINC04170576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 No

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) 0.56 -0.66 -40.14 2 9 1 117 376.389 6
Mid Mid (pH 6-8) 0.56 -1.26 -45.09 2 9 1 117 376.389 5
Mid Mid (pH 6-8) -0.02 -0.63 -49.73 1 9 1 113 376.389 6

Activity (Go SEA)

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