UCSF

ZINC59417352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 28 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) 1.18 5.06 -41.1 0 10 -1 133 387.372 5
Mid Mid (pH 6-8) 0.72 7.57 -11.86 1 10 0 130 388.38 5

Activity (Go SEA)

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

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