UCSF

ZINC22702961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 No

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) 1.52 7 -21.97 2 9 0 98 498.605 9
Mid Mid (pH 6-8) 2.25 6.58 -47.18 1 9 -1 95 497.597 9
Lo Low (pH 4.5-6) 1.52 8.93 -55.59 3 9 1 99 499.613 9

Activity (Go SEA)

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

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