UCSF

ZINC55036290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 1.04 5.89 -16.91 2 10 0 119 315.341 6
Hi High (pH 8-9.5) 0.66 4.14 -42.07 0 10 -1 122 314.333 6

Activity (Go SEA)

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

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