UCSF

ZINC07752976

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2006 28 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) 3.82 -3.59 -16.84 2 7 0 101 404.488 10
Hi High (pH 8-9.5) 3.82 -3.02 -50.15 1 7 -1 103 403.48 10

Activity (Go SEA)

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