UCSF

ZINC49562892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 0.24 1.92 -43.12 5 5 1 75 235.311 2
Lo Low (pH 4.5-6) -0.21 1.29 -87.49 5 5 2 74 236.319 2

Activity (Go SEA)

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

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