UCSF

ZINC31962889

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) -0.59 -0.47 -54.58 5 6 1 93 239.299 6
Mid Mid (pH 6-8) -0.59 -0.85 -15.09 4 6 0 91 238.291 6
Mid Mid (pH 6-8) -0.59 -0.04 -92.1 6 6 2 94 240.307 6

Activity (Go SEA)

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