UCSF

ZINC49549051

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) -0.23 5.1 -25.26 1 9 0 102 364.365 5
Lo Low (pH 4.5-6) -0.23 5.57 -54.44 2 9 1 103 365.373 5

Activity (Go SEA)

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

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