UCSF

ZINC39266540

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.30 8.92 -20.43 1 8 0 82 464.566 8
Mid Mid (pH 6-8) 2.30 11.05 -55.03 2 8 1 83 465.574 8

Activity (Go SEA)

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