UCSF

ZINC39276027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.56 8.42 -58.27 0 4 -1 62 268.651 2
Lo Low (pH 4.5-6) -0.88 6.58 -32.51 1 4 0 64 269.659 2

Activity (Go SEA)

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