UCSF

ZINC51480837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 2.98 7.04 -7.84 1 3 0 28 259.328 5
Mid Mid (pH 6-8) 2.98 8.49 -36.34 2 3 1 33 260.336 5
Lo Low (pH 4.5-6) 2.98 6.69 -27.87 2 3 1 29 260.336 5

Activity (Go SEA)

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

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