UCSF

ZINC25549024

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 23 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) 4.01 6.69 -14.27 2 4 0 56 371.234 1
Hi High (pH 8-9.5) 4.01 7.28 -61.85 1 4 -1 59 370.226 1

Activity (Go SEA)

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