UCSF

ZINC08440903

Substance Information

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

Other Names:

MFCD03073878

Download: MOL2 SDF SMILES Flexibase

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) 6.74 14.6 -16.38 1 5 0 65 494.031 6
Mid Mid (pH 6-8) 6.85 0.86 -8.71 0 5 0 64 494.031 6

Activity (Go SEA)

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