UCSF

ZINC27563755

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 36 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) 5.75 15.84 -16.05 2 8 0 90 489.62 10
Mid Mid (pH 6-8) 5.92 16.39 -57.22 3 8 1 95 490.628 10

Activity (Go SEA)

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