UCSF

ZINC48949724

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 0.93 6.18 -63.04 1 6 0 72 279.34 5
Hi High (pH 8-9.5) 0.93 6.06 -61.28 0 6 -1 70 278.332 5

Activity (Go SEA)

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

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