UCSF

ZINC09042829

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 No

Other Names:

MFCD03501546

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) 2.67 -0.06 -54.73 2 9 1 98 497.568 9
Mid Mid (pH 6-8) 1.64 -0.24 -55.49 1 9 1 95 497.568 10

Activity (Go SEA)

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