UCSF

ZINC53632244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 24 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) 1.54 4.32 -78.44 4 7 2 74 331.468 5
Hi High (pH 8-9.5) 1.54 1.47 -8.51 2 7 0 72 329.452 5
Mid Mid (pH 6-8) 1.54 3.87 -38.13 3 7 1 73 330.46 5

Activity (Go SEA)

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

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