UCSF

ZINC43967990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.46 10.4 -92.37 3 3 2 24 283.504 8
Hi High (pH 8-9.5) 3.46 8.14 -32.37 2 3 1 23 282.496 8

Activity (Go SEA)

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