UCSF

ZINC51087191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 26 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) 2.06 5.91 -12.37 1 5 0 53 354.45 6
Mid Mid (pH 6-8) 2.06 8.22 -51.97 2 5 1 54 355.458 6

Activity (Go SEA)

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