UCSF

ZINC25462337

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 4.74 11.22 -47.18 2 3 1 34 396.313 4
Mid Mid (pH 6-8) 4.74 9 -7.36 1 3 0 32 395.305 4

Activity (Go SEA)

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