UCSF

ZINC60021917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 3.58 8.86 -36.74 4 5 1 63 353.49 6
Mid Mid (pH 6-8) 3.58 6.54 -7.79 3 5 0 62 352.482 6
Mid Mid (pH 6-8) 3.58 6.49 -31.12 4 5 1 63 353.49 6

Activity (Go SEA)

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

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