UCSF

ZINC65529618

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 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) 1.93 4.87 -8.43 1 5 0 63 257.341 4
Mid Mid (pH 6-8) 1.93 5.31 -32.76 2 5 1 64 258.349 4

Activity (Go SEA)

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

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