UCSF

ZINC57907819

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 21 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) 2.12 5.26 -56.95 2 6 1 83 302.383 3
Hi High (pH 8-9.5) 2.12 3.07 -12.67 1 6 0 82 301.375 3
Mid Mid (pH 6-8) 1.94 4.43 -41.14 1 6 0 89 301.375 3

Activity (Go SEA)

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