UCSF

ZINC62321408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 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) -0.36 2.9 -88.88 3 5 2 48 238.335 3
Hi High (pH 8-9.5) -0.36 1.54 -29.59 2 5 1 44 237.327 3
Hi High (pH 8-9.5) -0.36 1.08 -7.67 1 5 0 42 236.319 3

Activity (Go SEA)

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

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