UCSF

ZINC09707397

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 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) 3.52 -2.53 -20.62 1 9 0 126 450.476 5
Hi High (pH 8-9.5) 3.52 -1.99 -44 0 9 -1 128 449.468 5

Activity (Go SEA)

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

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