UCSF

ZINC05082797

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 26 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) 3.06 7.29 -44.26 1 7 -1 100 372.426 6
Mid Mid (pH 6-8) 2.30 -0.51 -15.58 1 7 0 94 373.434 7

Activity (Go SEA)

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