UCSF

ZINC34957930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 1.81 2.69 -41.91 3 3 1 46 261.139 5
Hi High (pH 8-9.5) 1.81 2.27 -5.03 2 3 0 44 260.131 5

Activity (Go SEA)

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