UCSF

ZINC53303338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 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) 4.02 10.37 -29.46 2 2 1 29 269.412 6
Hi High (pH 8-9.5) 4.02 9.34 -4.03 1 2 0 25 268.404 6
Mid Mid (pH 6-8) 4.02 10.06 -104.72 3 2 2 31 270.42 6

Activity (Go SEA)

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

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