UCSF

ZINC34850156

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 No

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) 3.46 15.38 -58.66 3 6 0 103 472.585 10
Hi High (pH 8-9.5) 3.46 14.25 -69.02 2 6 -1 98 471.577 10

Activity (Go SEA)

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