UCSF

ZINC43805629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 4.17 9.23 -95.23 3 3 2 24 297.531 6
Hi High (pH 8-9.5) 4.17 6.97 -32.37 2 3 1 23 296.523 6
Mid Mid (pH 6-8) 4.17 8.68 -113.27 3 3 2 24 297.531 6

Activity (Go SEA)

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