UCSF

ZINC54930805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 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) 2.54 4.5 -7.52 1 3 0 46 192.262 2
Hi High (pH 8-9.5) 2.99 2.63 -48.89 0 3 -1 49 191.254 2

Activity (Go SEA)

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

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