UCSF

ZINC48632611

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 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) 2.23 5.47 -53.03 4 5 1 83 266.365 6
Hi High (pH 8-9.5) 2.23 5.17 -8.8 3 5 0 81 265.357 6

Activity (Go SEA)

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

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