UCSF

ZINC37079575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.69 7.33 -126.74 4 3 2 41 286.419 6
Mid Mid (pH 6-8) 2.69 7.89 -32.23 3 3 1 40 285.411 6
Mid Mid (pH 6-8) 2.69 5.43 -46.49 3 3 1 40 285.411 6

Activity (Go SEA)

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

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