UCSF

ZINC06788811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 22 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) 2.11 2.98 -14.59 2 5 0 75 324.308 3
Mid Mid (pH 6-8) 2.11 3.01 -39.85 1 5 -1 77 323.3 3

Activity (Go SEA)

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