UCSF

ZINC11947689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 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) 4.87 10.55 -43.74 2 4 1 37 372.577 5
Mid Mid (pH 6-8) 4.87 8.17 -9.87 1 4 0 36 371.569 5

Activity (Go SEA)

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