UCSF

ZINC40123530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.75 6.72 -53.43 1 5 -1 78 415.263 5
Lo Low (pH 4.5-6) 3.75 5.96 -13.4 2 5 0 76 416.271 5

Activity (Go SEA)

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