UCSF

ZINC37871892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 0.67 2.45 -48.61 3 3 1 61 177.227 3
Hi High (pH 8-9.5) 0.67 0.95 -6.69 2 3 0 56 176.219 3

Activity (Go SEA)

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