UCSF

ZINC39323811

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.39 6.19 -16.54 4 6 0 97 394.5 3
Mid Mid (pH 6-8) 3.39 6.56 -40.88 5 6 1 98 395.508 3

Activity (Go SEA)

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