UCSF

ZINC69231027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 4.33 11.49 -43.93 2 3 1 34 366.312 7
Hi High (pH 8-9.5) 4.33 8.68 -9.72 1 3 0 32 365.304 7

Activity (Go SEA)

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

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