UCSF

ZINC62153066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 16 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) 1.61 3.17 -43.16 2 5 -1 81 239.638 2
Lo Low (pH 4.5-6) 1.61 1.18 -7.56 3 5 0 78 240.646 2

Activity (Go SEA)

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

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