UCSF

ZINC25436633

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.52 4.25 -16.16 2 7 0 96 432.523 5
Hi High (pH 8-9.5) 3.52 5.16 -62.47 1 7 -1 99 431.515 5

Activity (Go SEA)

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