UCSF

ZINC71589554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 22 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) 2.64 8.63 -14.59 1 6 0 72 312.402 5
Lo Low (pH 4.5-6) 2.64 9.09 -47.35 2 6 1 73 313.41 5

Activity (Go SEA)

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

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