UCSF

ZINC37801198

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.94 8.62 -38.79 2 3 1 37 321.491 5
Hi High (pH 8-9.5) 2.94 7.39 -7.85 1 3 0 32 320.483 5

Activity (Go SEA)

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