UCSF

ZINC08440547

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

Other Names:

MFCD03300425

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) 5.49 0.95 -56.3 2 6 1 71 564.5 10
Mid Mid (pH 6-8) 4.91 0.86 -68.62 1 6 1 68 564.5 10

Activity (Go SEA)

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