UCSF

ZINC33713882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 4.84 10.52 -14.77 1 9 0 108 515.975 10
Mid Mid (pH 6-8) 4.84 11.13 -51.42 2 9 1 113 516.983 10

Activity (Go SEA)

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