UCSF

ZINC62322448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 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) -0.09 3.81 -91.21 4 4 2 50 222.336 2
Hi High (pH 8-9.5) -0.09 3.34 -52.62 3 4 1 49 221.328 2

Activity (Go SEA)

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

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