UCSF

ZINC23469856

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.99 2.58 -21.91 3 8 0 94 449.861 6
Lo Low (pH 4.5-6) 1.99 4.77 -57.53 4 8 1 95 450.869 6

Activity (Go SEA)

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