UCSF

ZINC54936391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) -0.54 1.2 -36.77 1 7 -1 91 204.217 3
Mid Mid (pH 6-8) -0.54 1.64 -48.1 2 7 0 92 205.225 3
Lo Low (pH 4.5-6) -0.54 1.64 -35.78 3 7 1 94 206.233 3

Activity (Go SEA)

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

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