UCSF

ZINC62602546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 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) 0.45 4.81 -14.78 2 7 0 93 281.341 7
Hi High (pH 8-9.5) 0.45 4.33 -40 1 7 -1 91 280.333 7
Mid Mid (pH 6-8) 0.45 6 -47.78 3 7 1 97 282.349 7

Activity (Go SEA)

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

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