UCSF

ZINC33828932

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 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) 1.85 7.64 -25.78 2 8 0 101 432.546 11
Hi High (pH 8-9.5) 1.67 6.56 -55.77 1 8 -1 107 431.538 11

Activity (Go SEA)

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