UCSF

ZINC36305514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) -0.27 1.59 -92.91 4 4 2 45 229.368 2
Hi High (pH 8-9.5) -0.27 1.29 -35.33 3 4 1 43 228.36 2
Lo Low (pH 4.5-6) -0.27 0.91 -122.45 4 4 2 45 229.368 2

Activity (Go SEA)

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