UCSF

ZINC54765280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 13 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) -1.46 0.49 -39.07 3 7 0 98 179.187 4
Mid Mid (pH 6-8) -1.46 -0.38 -51.94 3 7 0 95 179.187 4
Mid Mid (pH 6-8) -1.46 -0.87 -43.74 2 7 -1 93 178.179 4
Mid Mid (pH 6-8) -1.46 0.97 -87.24 4 7 1 99 180.195 4

Activity (Go SEA)

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

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