UCSF

ZINC22708386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 4.21 12.45 -23.42 2 7 0 91 472.57 7
Mid Mid (pH 6-8) 4.39 10.69 -51.34 1 7 -1 97 471.562 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.