UCSF

ZINC31962309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) -0.94 -0.85 -52.14 5 6 1 93 239.299 5
Mid Mid (pH 6-8) -0.94 -1.17 -14.83 4 6 0 91 238.291 5

Activity (Go SEA)

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