UCSF

ZINC36207145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 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) 3.79 10.03 -54.25 3 7 1 89 478.594 10
Hi High (pH 8-9.5) 4.25 7.46 -52.58 2 7 0 92 477.586 10

Activity (Go SEA)

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