UCSF

ZINC52077887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.73 7.22 -43.42 2 3 1 34 281.807 5
Hi High (pH 8-9.5) 2.73 4.96 -7.42 1 3 0 32 280.799 5

Activity (Go SEA)

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