UCSF

ZINC35141838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 25 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) 3.69 10.42 -62.07 1 5 -1 78 340.399 8
Lo Low (pH 4.5-6) 3.69 8.66 -15.11 2 5 0 76 341.407 8

Activity (Go SEA)

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

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