UCSF

ZINC39326810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 2.62 6.43 -15.01 1 8 0 85 455.507 8
Mid Mid (pH 6-8) 2.62 7.76 -62.33 2 8 1 89 456.515 8

Activity (Go SEA)

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