UCSF

ZINC43967656

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) 2.34 8.71 -92.23 3 3 2 24 275.44 6
Hi High (pH 8-9.5) 2.34 6.49 -34.57 2 3 1 23 274.432 6
Mid Mid (pH 6-8) 2.34 8.29 -121.51 3 3 2 24 275.44 6

Activity (Go SEA)

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