UCSF

ZINC37875661

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 2.38 6.74 -97.58 4 3 2 41 286.847 7
Hi High (pH 8-9.5) 2.38 5.51 -34.57 3 3 1 37 285.839 7

Activity (Go SEA)

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