UCSF

ZINC25066321

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 1.83 6.05 -22.77 2 8 0 109 393.399 6
Hi High (pH 8-9.5) 2.74 5.03 -57.4 1 8 -1 112 392.391 6

Activity (Go SEA)

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