UCSF

ZINC62841093

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 Yes

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) 1.81 6.78 -92.81 4 4 2 50 291.439 5
Mid Mid (pH 6-8) 1.81 4.72 -41.86 3 4 1 49 290.431 5

Activity (Go SEA)

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