UCSF

ZINC39353426

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 26 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) 2.35 10.26 -56.37 2 6 1 64 376.912 5
Mid Mid (pH 6-8) 2.35 8.37 -11.08 1 6 0 63 375.904 5

Activity (Go SEA)

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