UCSF

ZINC22742620

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 3.15 6.17 -17.39 2 6 0 84 397.298 7
Hi High (pH 8-9.5) 2.97 5.1 -42.26 1 6 -1 90 396.29 7

Activity (Go SEA)

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

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