UCSF

ZINC33692534

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 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) 5.10 7.21 -13.26 1 6 0 71 473.396 6
Mid Mid (pH 6-8) 5.10 7.83 -40.62 2 6 1 72 474.404 6

Activity (Go SEA)

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