UCSF

ZINC67540631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 1.66 9.28 -13.69 2 6 0 73 348.454 5
Mid Mid (pH 6-8) 1.66 11.06 -57.34 3 6 1 74 349.462 5
Mid Mid (pH 6-8) 1.66 9.76 -46.98 3 6 1 74 349.462 5
Lo Low (pH 4.5-6) 1.66 11.53 -126.62 4 6 2 75 350.47 5

Activity (Go SEA)

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

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