UCSF

ZINC43226497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 42 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) 0.54 -0.26 -54.6 8 13 1 220 585.586 7
Hi High (pH 8-9.5) 0.54 -1.45 -24.98 7 13 0 215 584.578 7

Activity (Go SEA)

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