UCSF

ZINC22699118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 1.01 3.85 -30.76 3 7 0 116 374.418 5
Hi High (pH 8-9.5) 1.01 4.53 -54.94 2 7 -1 113 373.41 5

Activity (Go SEA)

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

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