UCSF

ZINC35852247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 37 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) 3.45 10.84 -45.61 2 9 1 87 507.611 9
Mid Mid (pH 6-8) 3.45 11.2 -104.09 3 9 2 88 508.619 9

Activity (Go SEA)

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