UCSF

ZINC23332571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 3.37 9.78 -19.09 0 7 0 86 441.535 5
Mid Mid (pH 6-8) 3.37 12.06 -58.56 1 7 1 87 442.543 5

Activity (Go SEA)

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