UCSF

ZINC25077179

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 31 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) 3.75 5.34 -21.34 2 7 0 84 438.553 5
Mid Mid (pH 6-8) 3.75 5.73 -47.26 3 7 1 85 439.561 5

Activity (Go SEA)

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