UCSF

ZINC34950880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.26 7.85 -11.37 3 7 0 83 480.653 10
Mid Mid (pH 6-8) 3.26 10.12 -50.01 4 7 1 84 481.661 10

Activity (Go SEA)

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