UCSF

ZINC39382782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 24 No

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) 0.71 4.32 -15.36 2 8 0 108 358.416 8
Mid Mid (pH 6-8) 0.71 4.63 -59.65 3 8 1 110 359.424 8

Activity (Go SEA)

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