UCSF

ZINC36766090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 4.56 7.92 -5.29 3 3 0 55 320.234 2
Mid Mid (pH 6-8) 4.56 8.05 -30.76 4 3 1 56 321.242 2

Activity (Go SEA)

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