UCSF

ZINC45694066

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 0.48 4.91 -33.17 4 6 1 85 279.364 2
Mid Mid (pH 6-8) 0.48 4.46 -7.92 3 6 0 84 278.356 2

Activity (Go SEA)

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