UCSF

ZINC61452684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 0.34 -5.06 -44.17 2 7 1 83 227.244 4
Hi High (pH 8-9.5) 0.34 -6.47 -7.25 1 7 0 78 226.236 4

Activity (Go SEA)

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

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