UCSF

ZINC84847630

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 24 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) 5.14 14.42 -28.73 0 0 1 0 363.486 6
Mid Mid (pH 6-8) 5.14 13.98 -5.32 0 0 0 0 362.478 6
Mid Mid (pH 6-8) 5.14 14.57 -84.66 0 0 2 0 364.494 6

Activity (Go SEA)

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

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