UCSF

ZINC22561441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 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) 2.78 9.37 -51.16 4 8 1 107 474.01 8
Mid Mid (pH 6-8) 2.78 6.87 -18.8 3 8 0 106 473.002 8

Activity (Go SEA)

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