UCSF

ZINC71572165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.85 4.27 -17.74 2 5 0 67 265.272 1
Hi High (pH 8-9.5) 1.85 5 -56.54 1 5 -1 69 264.264 1
Mid Mid (pH 6-8) 1.85 4.71 -36.72 3 5 1 68 266.28 1

Activity (Go SEA)

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

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