UCSF

ZINC33349480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 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) 5.97 11.96 -13.14 0 7 0 79 472.95 8
Ref Reference (pH 7) 5.97 11.53 -14.02 0 7 0 79 472.95 8

Activity (Go SEA)

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

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