UCSF

ZINC12144141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2008 32 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) 2.86 -1.39 -28.19 2 7 0 90 433.508 4
Lo Low (pH 4.5-6) 2.86 -1.75 -37.75 3 7 1 91 434.516 4

Activity (Go SEA)

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

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