UCSF

ZINC36693885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 29 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) 3.88 3.81 -20.32 1 7 0 102 447.925 5
Mid Mid (pH 6-8) 3.95 1.49 -57.48 0 7 -1 108 446.917 5

Activity (Go SEA)

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