UCSF

ZINC37871913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 1.53 3.77 -45.75 3 2 1 37 214.235 4
Hi High (pH 8-9.5) 1.53 2.48 -5.31 2 2 0 32 213.227 4

Activity (Go SEA)

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