UCSF

ZINC34667792

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 4.49 11.07 -47.77 3 7 1 79 504.92 5
Mid Mid (pH 6-8) 4.49 10.75 -18.02 2 7 0 78 503.912 5

Activity (Go SEA)

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