UCSF

ZINC31992736

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 No

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) -0.40 0.59 -69.54 4 5 1 85 241.654 1
Hi High (pH 8-9.5) -0.40 0.56 -47.6 2 5 -1 86 239.638 1
Mid Mid (pH 6-8) -0.40 0.27 -11.87 3 5 0 84 240.646 1

Activity (Go SEA)

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