UCSF

ZINC08440575

Substance Information

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

Other Names:

MFCD03717120

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) 4.12 0.91 -52.06 2 7 1 80 487.576 10
Mid Mid (pH 6-8) 3.53 0.76 -61.47 1 7 1 77 487.576 10

Activity (Go SEA)

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