UCSF

ZINC33445847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 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) 3.68 10.98 -41.15 0 6 -1 83 492.349 7
Lo Low (pH 4.5-6) 3.68 9.85 -19.51 1 6 0 80 493.357 7

Activity (Go SEA)

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

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