UCSF

ZINC06803243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 3.78 12.03 -38.47 2 5 0 75 360.413 7
Hi High (pH 8-9.5) 3.78 10.65 -52.58 1 5 -1 70 359.405 7

Activity (Go SEA)

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