UCSF

ZINC94437780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2013 49 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) -5.47 -13.3 -237.07 7 24 -3 377 747.473 15
Hi High (pH 8-9.5) -5.58 -10.53 -228.58 7 24 -3 373 747.473 15

Activity (Go SEA)

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

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