UCSF

ZINC20362721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 3.53 7.79 -12.28 1 3 0 46 308.765 2
Hi High (pH 8-9.5) 3.99 6.61 -38.93 0 3 -1 49 307.757 2

Activity (Go SEA)

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

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