UCSF

ZINC47655093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 23 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) 3.04 4.19 -49.62 1 5 -1 77 355.798 5
Mid Mid (pH 6-8) 3.04 4.15 -15.47 2 5 0 75 356.806 5

Activity (Go SEA)

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