UCSF

ZINC55103975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 36 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) 5.04 12.89 -15.6 0 6 0 47 498.652 4
Lo Low (pH 4.5-6) 5.04 15.14 -49.58 1 6 1 48 499.66 4

Activity (Go SEA)

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

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