UCSF

ZINC71556402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

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) 4.10 9.21 -51.5 1 6 0 75 437.974 8
Hi High (pH 8-9.5) 4.10 6.75 -55.43 0 6 -1 74 436.966 8
Mid Mid (pH 6-8) 5.03 9.06 -44.88 2 6 1 76 438.982 7

Activity (Go SEA)

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

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