UCSF

ZINC42206306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 13 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) -0.35 -1.99 -41.92 4 4 1 66 201.168 6
Hi High (pH 8-9.5) -0.35 -3.34 -8.1 3 4 0 61 200.16 6

Activity (Go SEA)

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