UCSF

ZINC25420115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 3.89 9.93 -42.73 2 5 1 56 365.453 8
Hi High (pH 8-9.5) 3.89 8.27 -9.09 1 5 0 55 364.445 8

Activity (Go SEA)

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