UCSF

ZINC39587727

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 24 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) 4.94 6.84 -10.07 1 6 0 85 344.754 5
Hi High (pH 8-9.5) 4.94 7.85 -42.97 0 6 -1 88 343.746 5

Activity (Go SEA)

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