UCSF

ZINC20239223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 6.01 11.72 -13.5 1 4 0 55 439.993 4
Hi High (pH 8-9.5) 6.20 10.59 -44.06 0 4 -1 61 438.985 4

Activity (Go SEA)

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

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