UCSF

ZINC38000892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.72 -0.39 -43.23 5 5 1 89 249.29 4
Mid Mid (pH 6-8) 0.72 -1.64 -9.85 4 5 0 85 248.282 4

Activity (Go SEA)

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