UCSF

ZINC66434455

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 21 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) -0.52 2.04 -51.61 4 8 1 118 288.287 4
Hi High (pH 8-9.5) -0.06 -0.61 -54.28 2 8 -1 120 286.271 4
Mid Mid (pH 6-8) -0.06 -0.1 -68.57 3 8 0 121 287.279 4
Mid Mid (pH 6-8) -0.52 1.52 -25.53 3 8 0 117 287.279 4

Activity (Go SEA)

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

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