UCSF

ZINC37925918

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 17 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) 2.37 9.16 -40.16 1 3 1 31 234.319 6
Hi High (pH 8-9.5) 2.37 6.91 -9.66 0 3 0 30 233.311 6

Activity (Go SEA)

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