UCSF

ZINC62037698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 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) 3.04 6.6 -41.12 2 4 1 42 298.476 6
Hi High (pH 8-9.5) 3.04 5.17 -8.17 1 4 0 37 297.468 6
Mid Mid (pH 6-8) 3.04 7 -88.92 3 4 2 43 299.484 6

Activity (Go SEA)

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

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