UCSF

ZINC58344368

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) 2.98 6.12 -14.35 2 4 0 66 307.349 2
Hi High (pH 8-9.5) 2.98 6.91 -52.76 1 4 -1 69 306.341 2

Activity (Go SEA)

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

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