UCSF

ZINC59822834

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 35 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) 4.36 9.34 -66.22 3 7 0 81 487.661 8
Hi High (pH 8-9.5) 4.36 7.47 -6.7 2 7 0 80 486.653 8

Activity (Go SEA)

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