UCSF

ZINC26156532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 27 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) 2.55 4.3 -10.57 1 6 0 60 391.851 4
Mid Mid (pH 6-8) 2.55 6.56 -39.46 2 6 1 62 392.859 4

Activity (Go SEA)

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