UCSF

ZINC53923840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 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) 2.56 4.47 -31.99 2 3 1 28 255.426 3
Hi High (pH 8-9.5) 2.56 4.66 -28.89 2 3 1 28 255.426 3
Hi High (pH 8-9.5) 2.56 2.53 -2.52 1 3 0 27 254.418 3

Activity (Go SEA)

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

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