UCSF

ZINC69503342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 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) 2.26 7 -9.19 1 4 0 51 270.332 6
Mid Mid (pH 6-8) 2.26 7.99 -40.64 2 4 1 56 271.34 6
Lo Low (pH 4.5-6) 2.26 8.42 -87.03 3 4 2 57 272.348 6

Activity (Go SEA)

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

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