UCSF

ZINC38743589

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 24 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) 1.89 3.14 -18.37 3 6 0 93 375.504 4
Lo Low (pH 4.5-6) 1.89 3.46 -55.26 4 6 1 95 376.512 4

Activity (Go SEA)

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

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