UCSF

ZINC62796295

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 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) 2.81 9.82 -66.7 1 4 0 48 280.755 3
Hi High (pH 8-9.5) 2.81 7.44 -44.48 0 4 -1 47 279.747 3

Activity (Go SEA)

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

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