UCSF

ZINC06148784

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 37 No

Other Names:

MFCD01656003

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) 7.76 16.9 -8.54 0 4 0 56 512.049 5
Mid Mid (pH 6-8) 7.94 16.62 -10.51 0 4 0 56 512.049 5
Mid Mid (pH 6-8) 7.94 17.58 -9.93 0 4 0 56 512.049 5
Mid Mid (pH 6-8) 7.76 16.85 -12.47 0 4 0 56 512.049 5

Activity (Go SEA)

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