UCSF

ZINC06784134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 30 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) 2.07 6.53 -57.42 1 7 -1 99 410.446 10
Mid Mid (pH 6-8) 2.52 -3.54 -26.9 2 7 0 96 411.454 9
Mid Mid (pH 6-8) 1.49 -3.23 -19.35 1 7 0 93 411.454 10

Activity (Go SEA)

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