UCSF

ZINC96007011

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2014 9 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.58 -0.56 -5.62 1 2 0 23 165.283 2
Lo Low (pH 4.5-6) 0.58 1.7 -33.95 2 2 1 25 166.291 2

Activity (Go SEA)

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

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