UCSF

ZINC62980320

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) -0.40 1.28 -100.38 4 5 2 54 271.405 3
Hi High (pH 8-9.5) -0.40 -0.93 -43.02 3 5 1 53 270.397 3

Activity (Go SEA)

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

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