UCSF

ZINC24664506

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 31 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) 2.60 7.22 -15.77 1 8 0 84 429.517 8
Mid Mid (pH 6-8) 2.60 9.58 -51.83 2 8 1 85 430.525 8

Activity (Go SEA)

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