UCSF

ZINC71589718

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 27 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) 1.55 9.35 -42.93 3 6 1 77 364.473 2
Hi High (pH 8-9.5) 1.55 7.04 -7.56 2 6 0 75 363.465 2

Activity (Go SEA)

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

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