UCSF

ZINC69134316

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) -0.07 5.03 -38.83 4 7 1 88 266.373 3
Hi High (pH 8-9.5) -0.07 3.83 -7.09 3 7 0 83 265.365 3
Lo Low (pH 4.5-6) -0.07 5.63 -84 5 7 2 89 267.381 3
Lo Low (pH 4.5-6) -0.07 5.53 -82.85 5 7 2 89 267.381 3

Activity (Go SEA)

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

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