UCSF

ZINC51953242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 25 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) 3.01 11.08 -104.66 3 4 2 38 365.949 6
Mid Mid (pH 6-8) 3.01 8.89 -35.23 2 4 1 37 364.941 6

Activity (Go SEA)

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