UCSF

ZINC34855274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 2.04 9.02 -17.71 1 6 0 60 416.525 3
Mid Mid (pH 6-8) 2.04 11.24 -65.81 2 6 1 61 417.533 3

Activity (Go SEA)

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