UCSF

ZINC66138889

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 32 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) 3.93 9.91 -23.92 0 7 0 86 458.58 7
Lo Low (pH 4.5-6) 3.93 10.23 -46.67 1 7 1 87 459.588 7

Activity (Go SEA)

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

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