UCSF

ZINC42076066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 26 No

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) -0.34 -0.49 -27.49 3 9 0 125 380.426 7
Hi High (pH 8-9.5) -0.16 -3.16 -60.05 2 9 -1 131 379.418 7

Activity (Go SEA)

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