UCSF

ZINC37878368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 2.60 6.93 -39.81 3 2 1 37 278.322 6
Hi High (pH 8-9.5) 2.60 5.59 -5.14 2 2 0 32 277.314 6

Activity (Go SEA)

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