UCSF

ZINC39696837

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 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) 0.32 3.36 -60.67 3 8 1 92 473.516 5
Mid Mid (pH 6-8) 0.32 5.79 -113.34 4 8 2 93 474.524 5

Activity (Go SEA)

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