UCSF

ZINC44517686

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.29 10.97 -169.49 4 3 3 25 298.539 7
Hi High (pH 8-9.5) 3.29 10 -73.45 3 3 2 21 297.531 7

Activity (Go SEA)

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