UCSF

ZINC28694525

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 28 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) 2.09 8.25 -14.93 0 5 0 49 390.512 5
Mid Mid (pH 6-8) 2.09 10.58 -57.98 1 5 1 51 391.52 5

Activity (Go SEA)

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