UCSF

ZINC04736905

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 No

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) 1.73 8.94 -62.59 3 8 1 103 386.407 8
Mid Mid (pH 6-8) 1.84 -0.03 -51.48 2 8 1 101 386.407 8
Mid Mid (pH 6-8) 1.73 8.97 -62.57 3 8 1 103 386.407 8
Mid Mid (pH 6-8) 1.73 8.48 -24.54 2 8 0 102 385.399 8
Mid Mid (pH 6-8) 1.73 8.69 -26.64 2 8 0 102 385.399 8
Mid Mid (pH 6-8) 1.73 8.71 -23.47 2 8 0 102 385.399 8
Mid Mid (pH 6-8) 1.73 8.45 -26.52 2 8 0 102 385.399 8

Activity (Go SEA)

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

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