UCSF

ZINC62971876

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 1.39 5.93 -81.7 3 3 2 24 227.396 6
Hi High (pH 8-9.5) 1.39 3.54 -32.51 2 3 1 23 226.388 6
Lo Low (pH 4.5-6) 1.39 8.02 -190.46 4 3 3 25 228.404 6

Activity (Go SEA)

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