UCSF

ZINC42206897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.08 3.32 -31.94 3 4 1 46 268.303 7
Hi High (pH 8-9.5) 1.08 2.77 -41.98 3 4 1 49 268.303 7
Lo Low (pH 4.5-6) 1.08 4.57 -116.24 4 4 2 50 269.311 7

Activity (Go SEA)

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