UCSF

ZINC53345428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.68 3.57 -47 2 5 1 45 285.437 8
Hi High (pH 8-9.5) 0.68 2.2 -6.25 1 5 0 41 284.429 8
Lo Low (pH 4.5-6) 0.68 4 -82.74 3 5 2 46 286.445 8

Activity (Go SEA)

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

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