UCSF

ZINC35866539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 2.05 4.89 -14 1 8 0 81 448.56 10
Mid Mid (pH 6-8) 2.05 7.17 -47.76 2 8 1 82 449.568 10

Activity (Go SEA)

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