UCSF

ZINC41514780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 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) 3.83 12.59 -45.59 2 6 1 81 410.49 9
Mid Mid (pH 6-8) 3.83 10.25 -15.94 1 6 0 80 409.482 9

Activity (Go SEA)

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