UCSF

ZINC69770069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 19 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) 1.39 6.26 -90.7 3 4 2 38 272.433 6
Hi High (pH 8-9.5) 1.39 4.22 -31.92 2 4 1 37 271.425 6

Activity (Go SEA)

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

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