UCSF

ZINC22742275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 2.98 10 -29.83 1 5 0 64 321.38 4
Mid Mid (pH 6-8) 2.98 10.43 -47.69 2 5 1 65 322.388 4

Activity (Go SEA)

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