UCSF

ZINC62934199

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) -0.10 2.99 -44.27 3 8 0 123 268.273 4
Hi High (pH 8-9.5) 0.36 0.69 -92.1 1 8 -2 125 266.257 4
Mid Mid (pH 6-8) 0.36 1.38 -56.83 2 8 -1 126 267.265 4
Mid Mid (pH 6-8) -0.10 2.35 -42.96 2 8 -1 122 267.265 4

Activity (Go SEA)

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

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