UCSF

ZINC29490724

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 26 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) 1.85 6.75 -13.07 0 6 0 55 356.422 3
Mid Mid (pH 6-8) 1.85 9.03 -54.87 1 6 1 56 357.43 3

Activity (Go SEA)

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