UCSF

ZINC04499988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 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) 2.63 4 -53.78 2 8 -1 119 370.414 5
Mid Mid (pH 6-8) 2.81 4.27 -43.92 2 8 -1 118 370.414 4
Mid Mid (pH 6-8) 2.63 3.89 -123.09 1 8 -2 117 369.406 5

Activity (Go SEA)

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

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