UCSF

ZINC05544635

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.48 10.23 -50.57 2 6 1 71 427.496 9
Mid Mid (pH 6-8) 2.90 10.91 -61.2 1 6 1 68 427.496 9

Activity (Go SEA)

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