UCSF

ZINC61452241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 18 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) 2.00 1.3 -44.1 2 7 1 77 254.314 4
Hi High (pH 8-9.5) 2.00 0.06 -7.34 1 7 0 72 253.306 4

Activity (Go SEA)

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

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