UCSF

ZINC33707351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 2.85 8.81 -13.27 0 7 0 66 431.492 5
Mid Mid (pH 6-8) 2.85 11.15 -57.67 1 7 1 67 432.5 5

Activity (Go SEA)

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