UCSF

ZINC54931041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 2.01 4.5 -24.88 2 3 1 39 178.259 1
Mid Mid (pH 6-8) 2.01 4.57 -25.02 2 3 1 39 178.259 1
Mid Mid (pH 6-8) 2.01 4.39 -7.61 1 3 0 38 177.251 1

Activity (Go SEA)

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

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