UCSF

ZINC36734769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.78 2.89 -7.51 3 5 0 70 276.727 2
Lo Low (pH 4.5-6) 1.78 3.04 -32.28 4 5 1 71 277.735 2

Activity (Go SEA)

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