UCSF

ZINC20901079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 4.94 8.52 -18.74 1 5 0 68 398.528 7
Hi High (pH 8-9.5) 4.94 7.54 -47.54 0 5 -1 70 397.52 7

Activity (Go SEA)

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

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