UCSF

ZINC39712137

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 31 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) 6.69 14.72 -57.81 1 5 1 47 461.051 10
Hi High (pH 8-9.5) 6.69 12.08 -10.65 0 5 0 46 460.043 10

Activity (Go SEA)

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