UCSF

ZINC44994921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 14 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) -1.86 -1.05 -56.04 3 6 1 87 197.218 2
Hi High (pH 8-9.5) -1.86 -1.36 -12.67 2 6 0 85 196.21 2

Activity (Go SEA)

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

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