UCSF

ZINC09609199

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 33 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) 2.84 -0.92 -18.08 1 8 0 90 445.523 8
Lo Low (pH 4.5-6) 2.84 -0.81 -50.94 2 8 1 91 446.531 8

Activity (Go SEA)

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

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