UCSF

ZINC08440634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 No

Other Names:

MFCD03837945

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) 2.63 -1.11 -50.69 3 9 1 109 550.426 10
Mid Mid (pH 6-8) 2.05 -1.26 -59.72 2 9 1 106 550.426 10

Activity (Go SEA)

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