UCSF

ZINC33707506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 1.75 8.26 -57.78 3 9 1 105 509.052 12
Hi High (pH 8-9.5) 1.75 5.73 -24.34 2 9 0 104 508.044 12

Activity (Go SEA)

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