UCSF

ZINC22538613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 15 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 7.74 -31.77 1 3 1 31 214.329 4
Mid Mid (pH 6-8) 2.93 6.36 -3.85 0 3 0 30 213.321 4

Activity (Go SEA)

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