UCSF

ZINC33433978

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 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) 2.37 5.49 -12.1 2 5 0 75 264.288 3
Hi High (pH 8-9.5) 2.37 6.27 -54.09 1 5 -1 78 263.28 3
Lo Low (pH 4.5-6) 2.37 6.5 -38.62 3 5 1 76 265.296 3

Activity (Go SEA)

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

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