UCSF

ZINC59267479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 20 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) 3.23 8.61 -84.19 4 4 2 48 278.444 7
Mid Mid (pH 6-8) 3.23 6.4 -29.64 3 4 1 47 277.436 7

Activity (Go SEA)

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