UCSF

ZINC39755194

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 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) 3.59 11.79 -20.78 1 8 0 95 472.64 10
Hi High (pH 8-9.5) 3.77 10.25 -53.05 0 8 -1 101 471.632 10

Activity (Go SEA)

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