UCSF

ZINC51481489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.35 8.6 -88.75 3 4 2 43 279.428 5
Hi High (pH 8-9.5) 2.35 7.27 -21.48 2 4 1 39 278.42 5
Hi High (pH 8-9.5) 2.35 8.06 -42.1 2 4 1 42 278.42 5

Activity (Go SEA)

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

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