UCSF

ZINC41583740

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

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) 4.49 11.2 -45.18 2 7 1 101 409.462 4
Mid Mid (pH 6-8) 4.49 11.96 -28.94 1 7 0 104 408.454 4

Activity (Go SEA)

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