UCSF

ZINC54789562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 0.35 4.48 -36.59 2 4 1 42 219.312 3
Hi High (pH 8-9.5) 0.35 1.97 -5.65 1 4 0 41 218.304 3
Lo Low (pH 4.5-6) 0.35 5.65 -111.64 3 4 2 47 220.32 3

Activity (Go SEA)

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

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