UCSF

ZINC39325984

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 4.47 6.43 -8.82 3 6 0 97 400.482 4
Lo Low (pH 4.5-6) 4.47 6.86 -44.48 4 6 1 99 401.49 4

Activity (Go SEA)

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