UCSF

ZINC36623617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 14 No

Other Names:

MFCD08559334

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) -0.05 5.92 -25.51 2 3 0 57 229.326 2
Mid Mid (pH 6-8) -0.05 4.91 -43.44 1 3 -1 52 228.318 2

Activity (Go SEA)

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