UCSF

ZINC08440909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 No

Other Names:

MFCD04088521

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) 3.45 -0.65 -64.25 2 8 1 89 515.652 11
Mid Mid (pH 6-8) 2.87 -0.87 -76.82 1 8 1 86 515.652 11

Activity (Go SEA)

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