UCSF

ZINC52908582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 21 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) 3.34 6.05 -37.64 2 5 1 59 305.427 5
Hi High (pH 8-9.5) 3.15 5.11 -28.29 1 5 0 66 304.419 5

Activity (Go SEA)

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

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