UCSF

ZINC02164721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 26 No

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) 4.54 11.73 -9.46 0 4 0 42 386.904 5
Mid Mid (pH 6-8) 4.54 11.85 -34.12 1 4 0 44 387.912 5

Activity (Go SEA)

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