UCSF

ZINC35894513

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 5.33 14.15 -34.6 2 3 1 34 379.568 7
Hi High (pH 8-9.5) 5.33 12.77 -8.22 1 3 0 32 378.56 7

Activity (Go SEA)

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