UCSF

ZINC67975757

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 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) -0.20 6.94 -66.26 1 9 -1 124 370.389 5
Hi High (pH 8-9.5) 0.25 4.94 -116.67 0 9 -2 127 369.381 5

Activity (Go SEA)

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

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