UCSF

ZINC67514885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 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) 1.44 3.13 -53.66 5 5 1 93 320.372 3
Hi High (pH 8-9.5) 1.44 2.7 -13.32 4 5 0 91 319.364 3

Activity (Go SEA)

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

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