UCSF

ZINC25533835

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 33 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) 2.93 8.37 -52.5 1 7 1 71 490.499 8
Hi High (pH 8-9.5) 2.93 5.98 -18.24 0 7 0 70 489.491 8

Activity (Go SEA)

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