UCSF

ZINC25498738

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 6.18 10.74 -52.52 0 5 -1 67 409.531 7
Mid Mid (pH 6-8) 5.73 11.85 -12.14 1 5 0 64 410.539 7

Activity (Go SEA)

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