UCSF

ZINC35890884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 5.48 13.32 -35.56 2 7 1 72 460.602 5
Mid Mid (pH 6-8) 5.48 13 -12.57 1 7 0 71 459.594 5

Activity (Go SEA)

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