UCSF

ZINC03767188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 23 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) 0.54 -0.68 -53.9 2 9 -1 128 338.369 7
Hi High (pH 8-9.5) 0.72 -0.44 -42.83 2 9 -1 128 338.369 6
Mid Mid (pH 6-8) 0.54 -0.73 -122.96 1 9 -2 126 337.361 7

Activity (Go SEA)

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

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