UCSF

ZINC13672884

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

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) 4.98 11.59 -14.43 3 5 0 62 431.577 12
Lo Low (pH 4.5-6) 5.02 11.15 -38.51 3 5 1 64 432.585 11

Activity (Go SEA)

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

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