UCSF

ZINC31158230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 32 No

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) -0.23 -9.27 -38.67 8 12 0 211 450.352 3
Hi High (pH 8-9.5) -0.23 -8.26 -87.05 7 12 -1 213 449.344 3

Activity (Go SEA)

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

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