UCSF

ZINC65589845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 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) 0.43 2.06 -63.01 0 8 -1 100 341.347 5
Mid Mid (pH 6-8) 0.24 4.62 -19.29 1 8 0 94 342.355 5
Mid Mid (pH 6-8) 0.24 4.58 -19.42 1 8 0 94 342.355 5

Activity (Go SEA)

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

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