UCSF

ZINC34171044

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 28 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) 4.25 9.03 -47.58 2 4 -1 81 391.572 4
Lo Low (pH 4.5-6) 4.25 7.05 -6.24 3 4 0 78 392.58 4

Activity (Go SEA)

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

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