UCSF

ZINC65508102

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 18 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) 1.18 3.72 -47.69 4 4 1 66 260.342 1
Hi High (pH 8-9.5) 1.18 2.43 -11.18 3 4 0 61 259.334 1

Activity (Go SEA)

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

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