UCSF

ZINC69512328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 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) 1.58 7.93 -10.11 0 5 0 52 346.452 7
Lo Low (pH 4.5-6) 1.58 8.39 -33.91 1 5 1 53 347.46 7

Activity (Go SEA)

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

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