UCSF

ZINC21532425

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 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) 3.29 5.76 -16.58 1 6 0 66 395.381 4
Hi High (pH 8-9.5) 3.29 6.55 -57.87 0 6 -1 69 394.373 4

Activity (Go SEA)

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

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