UCSF

ZINC57865490

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 25 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) 2.54 6.01 -41.13 3 6 1 72 368.885 8
Mid Mid (pH 6-8) 2.54 3.84 -12.91 2 6 0 71 367.877 8

Activity (Go SEA)

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