UCSF

ZINC59417366

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 19 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) 2.48 4.04 -13.36 1 5 0 72 276.317 5
Mid Mid (pH 6-8) 2.94 1.93 -44.68 0 5 -1 75 275.309 5

Activity (Go SEA)

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

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