UCSF

ZINC60481481

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 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) -1.87 -4.62 -14.98 5 9 0 134 283.288 2
Hi High (pH 8-9.5) -1.68 -7.27 -45.91 4 9 -1 140 282.28 2

Activity (Go SEA)

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

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