UCSF

ZINC53650603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) -0.07 3.56 -41.95 2 5 1 47 253.37 7
Hi High (pH 8-9.5) -0.07 1.79 -6.69 1 5 0 42 252.362 7
Lo Low (pH 4.5-6) -0.07 5.34 -116.44 3 5 2 48 254.378 7

Activity (Go SEA)

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

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