UCSF

ZINC35864909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 3.92 9.72 -15.1 0 5 0 42 504.471 10
Lo Low (pH 4.5-6) 3.92 11.98 -72 1 5 1 43 505.479 10

Activity (Go SEA)

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