UCSF

ZINC31961031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -0.43 0.01 -53.45 5 6 1 91 253.326 8
Mid Mid (pH 6-8) -0.43 0.48 -90.96 6 6 2 92 254.334 8

Activity (Go SEA)

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