UCSF

ZINC53999083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.36 7.31 -14.54 0 4 0 46 292.338 1
Mid Mid (pH 6-8) 2.36 7.69 -33.83 1 4 1 48 293.346 1

Activity (Go SEA)

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