UCSF

ZINC57996001

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 26 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) 2.59 8 -13.78 1 6 0 65 353.422 7
Mid Mid (pH 6-8) 2.59 8.48 -36.22 2 6 1 67 354.43 7

Activity (Go SEA)

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