UCSF

ZINC28250152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 3.03 7.21 -42.21 2 5 1 46 338.859 4
Hi High (pH 8-9.5) 3.03 4.91 -10.63 1 5 0 45 337.851 4

Activity (Go SEA)

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