UCSF

ZINC39688908

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 Yes

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) 0.65 8.92 -113.79 4 9 2 111 499.015 5
Mid Mid (pH 6-8) 0.65 8.45 -68.29 3 9 1 110 498.007 5

Activity (Go SEA)

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