UCSF

ZINC95950117

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2014 11 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) 0.50 2.92 -8.6 4 4 0 66 170.603 0
Mid Mid (pH 6-8) 0.50 3.41 -31.2 5 4 1 68 171.611 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.