UCSF

ZINC39266770

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) 2.93 7.26 -18.58 1 8 0 90 506.694 10
Mid Mid (pH 6-8) 2.93 9.42 -56.08 2 8 1 91 507.702 10

Activity (Go SEA)

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