UCSF

ZINC20848063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 1.12 4.64 -17.39 1 6 0 83 313.404 2
Hi High (pH 8-9.5) 1.57 3.52 -45.36 0 6 -1 86 312.396 2

Activity (Go SEA)

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

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