UCSF

ZINC22697955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 2.11 3.86 -10.54 1 7 0 73 374.437 7
Mid Mid (pH 6-8) 2.11 5.92 -42.36 2 7 1 74 375.445 7

Activity (Go SEA)

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