UCSF

ZINC34866524

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 5.47 11.23 -61.15 6 6 1 98 479.604 8
Hi High (pH 8-9.5) 5.47 9.95 -12.73 5 6 0 96 478.596 8

Activity (Go SEA)

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