UCSF

ZINC53224671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 18 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) 2.76 7.33 -37.66 3 4 0 71 248.326 2
Hi High (pH 8-9.5) 2.76 7.54 -53.87 2 4 -1 69 247.318 2

Activity (Go SEA)

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