UCSF

ZINC40551764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 20 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) -1.81 1.46 -57.12 2 7 -1 94 284.336 6
Mid Mid (pH 6-8) -1.81 3.73 -71.35 3 7 0 95 285.344 6

Activity (Go SEA)

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

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