UCSF

ZINC04499991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 19 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) 0.11 -1.3 -52.86 2 8 -1 119 280.289 4
Hi High (pH 8-9.5) 0.28 -1.02 -42.87 2 8 -1 118 280.289 3
Mid Mid (pH 6-8) 0.11 -1.31 -119.1 1 8 -2 117 279.281 4

Activity (Go SEA)

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

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