UCSF

ZINC25452570

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 4.15 7.83 -19.1 2 6 0 83 429.27 3
Mid Mid (pH 6-8) 4.15 8.77 -57.08 1 6 -1 85 428.262 3

Activity (Go SEA)

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