UCSF

ZINC22076899

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 3.32 8.44 -41.03 2 4 1 38 329.464 10
Mid Mid (pH 6-8) 3.32 9.47 -40.07 2 4 1 35 329.464 10

Activity (Go SEA)

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